SCHEMBL3309142

SCHEMBL3309142

CCN(CC)C(=O)c1cccc(F)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.55
KEAP1 Q14145 1/20 0.49
TSHR P16473 2/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX1 P51575 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL254969 0.84 ALDH1A1 (0.56) KEAP1TSHROPRM1OPRD1HPGD
SCHEMBL3442880 0.83 ESR1 (0.56) KEAP1TSHROPRM1OPRD1HPGD
SCHEMBL7219292 0.81 KEAP1 (0.48) KEAP1TSHROPRM1OPRD1HPGD
SCHEMBL2941369 0.81 HPGD (0.56) KEAP1TSHROPRM1OPRD1HPGD
SCHEMBL3312574 0.79 KEAP1 (0.49) KEAP1TSHRHPGDALDH1A1TP53
SCHEMBL1706516 0.79 MMP2 (0.55) KEAP1TSHRHPGDALDH1A1TP53
SCHEMBL7852399 0.79 KEAP1 (0.46) KEAP1TSHROPRM1OPRD1HPGD
SCHEMBL10652028 0.79 KEAP1 (0.46) KEAP1TSHROPRM1OPRD1HPGD
SCHEMBL12086326 0.78 TDP1 (0.61) KEAP1OPRM1OPRD1HPGDALDH1A1
SCHEMBL14052340 0.78 KEAP1 (0.55) KEAP1TSHROPRM1OPRD1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218219-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2019-07-18 US claimed
US-20260098040-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA CELLULAR THERAPIES INC (US) 2026-04-09 US disclosed
EP-3609891-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA CELLULAR THERAPIES INC (US) 2026-02-11 EP disclosed
EP-3898581-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA CELLULAR THERAPIES INC (US) 2025-08-27 EP disclosed
US-12358916-B2 Substituted heterocycle fused gamma-carbolines synthesis INTRA-CELLULAR THERAPIES, INC. (US) 2025-07-15 US disclosed
US-12297200-B2 Substituted heterocycle fused gamma-carbolines synthesis INTRA-CELLULAR THERAPIES, INC. (US) 2025-05-13 US disclosed
US-20250101022-A1 PROCESS FOR PREPARING INTERMEDIATES FOR 1-(4-FLUOROPHENYL)-4-((6bR,10aS)-3-METHYL-2,3,6b,9,10,10a-HEXAHYDRO-1H-PYRIDO[3’,4’:4,5]PYRROLO[1,2,3-de]QUINOXALIN-8(7H)-YL)BUTAN-1-ONE INTRA-CELLULAR THERAPIES, INC. (US) 2025-03-27 US disclosed
US-12139490-B2 Process for preparing 1-(4-fluorophenyl)-4-((6bR, 10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)butan-1-one INTRA-CELLULAR THERAPIES, INC. (US) 2024-11-12 US disclosed
US-20240327409-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2024-10-03 US disclosed
CN-113227045-B Synthesis of substituted heterocycle fused gamma-carbolines 细胞内治疗公司 2024-04-26 CN disclosed
US-9751883-B2 Preparation of certain [((6BR,10AS)-2,3,6B,7,8,9,10, 10A-octahydro-1H-pyrido[3′,4′:4,5]pyrrolo [1,2,3-de]quinoxalines and pharmaceutically acceptable salts thereof INTRA-CELLULAR THERAPIES, INC. (US) 2017-09-05 US disclosed
US-20160194326-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2016-07-07 US disclosed
US-9315504-B2 Preparation of 4-((6BR,10AS)-3-methyl-2,3,6B,9,10, 10A-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo [1,2,3-de]quinoxalin-8-(7H)-yl)-1-(4-fluorophenyl)-1-butanone or a pharmaceutically acceptable salt thereof INTRA-CELLULAR THERAPIES, INC. (US) 2016-04-19 US disclosed
US-20140364609-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2014-12-11 US disclosed
US-8779139-B2 Substituted 2,3,4,4A,5,9B-hexahydro-1H-pyrido[4,3-B]indole derivatives synthesis and uses thereof INTRA-CELLULAR THERAPIES, INC. 2014-07-15 US disclosed
US-20130046097-A1 SUBSTITUTED HETEROCYCLE GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2013-02-21 US disclosed
US-8309722-B2 Substituted heterocycle gamma-carbolines synthesis INTRA-CELLULAR THERAPIES, INC. (US) 2012-11-13 US disclosed
US-20100113781-A1 SUBSTITUTED HETEROCYCLE GAMMA-CARBOLINES SYNTHESIS INTRACELLULAR THERAPIES, INC. (US) 2010-05-06 US disclosed
EP-2134710-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS Intra-Cellular Therapies, Inc. (US) 2009-12-23 EP disclosed
WO-2008112280-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2008-09-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190218219-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS CYCS, HCCS, IDH3B ALB 3258/4885KEAP1 2112/4885TSHR 3293/4885
US-12358916-B2 Substituted heterocycle fused gamma-carbolines synthesis HCCS, CYCS, CBR3 ALB 3393/4885KEAP1 2506/4885TSHR 3270/4885
US-20240327409-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 ALB 3393/4885KEAP1 2506/4885TSHR 3270/4885
US-20250101022-A1 PROCESS FOR PREPARING INTERMEDIATES FOR 1-(4-FLUOROPHENYL)-4-((6bR,10aS)-3-METHYL-2,3,6b,9,10,10a-HEXAHYDRO-1H-PYRIDO[3’,4’:4,5]PYRROLO[1,2,3-de]QUINOXALIN-8(7H)-YL)BUTAN-1-ONE CYP1B1, CYP4B1, CBR1 ALB 3657/4885KEAP1 640/4885TSHR 2882/4885
US-20100113781-A1 SUBSTITUTED HETEROCYCLE GAMMA-CARBOLINES SYNTHESIS CYCS, HCCS, CBR3 ALB 3529/4885KEAP1 1855/4885TSHR 3099/4885
US-20160194326-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 ALB 3436/4885KEAP1 2398/4885TSHR 3322/4885
US-20140364609-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 ALB 3370/4885KEAP1 2339/4885TSHR 3274/4885
US-20260098040-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS KCNH2, KCNH3, KCNH1 ALB 3699/4885KEAP1 676/4885TSHR 585/4885
US-20130046097-A1 SUBSTITUTED HETEROCYCLE GAMMA-CARBOLINES SYNTHESIS CYCS, HCCS, CBR3 ALB 3529/4885KEAP1 1855/4885TSHR 3099/4885
US-12297200-B2 Substituted heterocycle fused gamma-carbolines synthesis HCCS, CYCS, CBR3 ALB 3393/4885KEAP1 2506/4885TSHR 3270/4885
US-12139490-B2 Process for preparing 1-(4-fluorophenyl)-4-((6bR, 10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)butan-1-one CYP1B1, CYP4B1, CBR1 ALB 3432/4885KEAP1 521/4885TSHR 2504/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.