SCHEMBL3312574

SCHEMBL3312574

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
HSP90AA1 P07900 3/20 0.49
HSP90AB1 P08238 3/20 0.49
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GHSR Q92847 1/20 0.44
KLKB1 P03952 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.43
PLAU P00749 2/20 0.41
PLAT P00750 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX4 Q99571 1/20 0.41

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
SCHEMBL4482255 0.84 SLC6A2 (0.53) KEAP1HSP90AA1HSP90AB1TP53TSHR
SCHEMBL143826 0.84 TP53 (0.65) KEAP1HSP90AA1HSP90AB1TP53TSHR
SCHEMBL3442604 0.83 KEAP1 (0.49) KEAP1HSP90AA1HSP90AB1TP53TSHR
SCHEMBL2941369 0.81 HPGD (0.56) KEAP1HSP90AA1HSP90AB1TP53TSHR
SCHEMBL1706516 0.79 MMP2 (0.55) KEAP1HSP90AA1HSP90AB1TP53TSHR
SCHEMBL3309142 0.79 ALB (0.55) KEAP1HSP90AA1HSP90AB1TP53TSHR
SCHEMBL7217634 0.79 GHSR (0.47) KEAP1HSP90AA1HSP90AB1TP53TSHR
SCHEMBL3558867 0.79 TSHR (0.47) KEAP1HSP90AA1HSP90AB1TP53TSHR
SCHEMBL29822323 0.77 TP53 (0.69) KEAP1HSP90AA1HSP90AB1TP53TSHR
SCHEMBL610480 0.77 TP53 (0.69) KEAP1HSP90AA1HSP90AB1TP53TSHR

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 33 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-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2023-01-12 US disclosed
US-20220064166-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2022-03-03 US disclosed
US-11066407-B2 Preparation of certain substituted 1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalines and pharmaceutically acceptable salts thereof INTRA-CELLULAR THERAPIES, INC. (US) 2021-07-20 US disclosed
EP-3663294-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS Intra-Cellular Therapies, Inc. (US) 2020-06-10 EP disclosed
US-20200115380-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2020-04-16 US disclosed
US-20200102309-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2020-04-02 US disclosed
US-10597395-B2 Preparation of certain substituted 1-(4-fluorophenyl)-4-(2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-YL)butan-1-ones and pharmaceutically acceptable salts thereof INTRA-CELLULAR THERAPIES, INC. (US) 2020-03-24 US disclosed
US-20200087305-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2020-03-19 US disclosed
EP-3609891-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS Intra-Cellular Therapies, Inc. (US) 2020-02-19 EP disclosed
US-8309722-B2 Substituted heterocycle gamma-carbolines synthesis INTRA-CELLULAR THERAPIES, INC. (US) 2012-11-13 US disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 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
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US 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 KEAP1 2112/4885HSP90AA1 3213/4885HSP90AB1 3249/4885
US-20200102309-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 KEAP1 2506/4885HSP90AA1 3102/4885HSP90AB1 3206/4885
US-20100113781-A1 SUBSTITUTED HETEROCYCLE GAMMA-CARBOLINES SYNTHESIS CYCS, HCCS, CBR3 KEAP1 1855/4885HSP90AA1 3123/4885HSP90AB1 3180/4885
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A KEAP1 2712/4885HSP90AA1 3657/4885HSP90AB1 3778/4885
US-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 KEAP1 2506/4885HSP90AA1 3102/4885HSP90AB1 3206/4885
US-10597395-B2 Preparation of certain substituted 1-(4-fluorophenyl)-4-(2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-YL)butan-1-ones and pharmaceutically acceptable salts thereof CYP3A7, CYP4B1, CYP1B1 KEAP1 644/4885HSP90AA1 4345/4885HSP90AB1 4007/4885
US-11066407-B2 Preparation of certain substituted 1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalines and pharmaceutically acceptable salts thereof CYP2F1, CYP3A4, CYP4F2 KEAP1 765/4885HSP90AA1 4616/4885HSP90AB1 4546/4885
US-20200087305-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 KEAP1 2339/4885HSP90AA1 3072/4885HSP90AB1 3182/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B KEAP1 3150/4885HSP90AA1 3330/4885HSP90AB1 3397/4885
US-20220064166-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 KEAP1 2506/4885HSP90AA1 3102/4885HSP90AB1 3206/4885
US-20200115380-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 KEAP1 2339/4885HSP90AA1 3072/4885HSP90AB1 3182/4885

“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.