SCHEMBL74431

SCHEMBL74431

[CH2]CCOc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
LTA4H P09960 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAOB P27338 2/20 0.44

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
SCHEMBL1048417 0.88 DRD2 (0.50) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL1047301 0.86 MEN1 (0.51) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL9114592 0.85 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL1043782 0.85 MEN1 (0.54) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL10338308 0.82 MEN1 (0.60) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL316199 0.80 MAOB (0.47) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL1620167 0.78 APP (0.52) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL6475216 0.76 KDM4E (0.48) L3MBTL1DRD2DRD4DRD3LTA4H
SCHEMBL5248320 0.76 DRD2 (0.52) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL167606 0.76 DRD2 (0.56) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195450-B Synthesis of substituted heterocycle fused gamma-carbolines 细胞内治疗公司 2024-04-26 CN claimed
CN-113227045-B Synthesis of substituted heterocycle fused gamma-carbolines 细胞内治疗公司 2024-04-26 CN claimed
US-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2023-01-12 US claimed
US-20220064166-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2022-03-03 US claimed
EP-3897621-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2021-10-27 EP claimed
EP-3898581-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS Intra-Cellular Therapies, Inc. (US) 2021-10-27 EP claimed
EP-3898580-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS Intra-Cellular Therapies, Inc. (US) 2021-10-27 EP claimed
CN-113227045-A Synthesis of substituted heterocycle fused gamma-carbolines 细胞内治疗公司 2021-08-06 CN claimed
CN-113195450-A Synthesis of substituted heterocycle fused gamma-carbolines 细胞内治疗公司 2021-07-30 CN claimed
CN-108084179-B Compound with spiro structure, preparation method and application thereof 上海医药工业研究院 2021-02-05 CN claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
CN-1313857-A Process for the synthesis of substituted tetrahydrofuran compounds LEUKOSITE INC (US) 2001-09-19 CN claimed
WO-2001004118-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS ALMIRALL PRODESFARMA S.A. (ES) 2001-01-18 WO claimed
CN-1233240-A Synthesis method of cisapride JANSSEN PHARMACEUTICA NV (BE) 1999-10-27 CN claimed
EP-0934272-A1 SYNTHESIS OF CISAPRIDE JANSSEN PHARMACEUTICA N.V. (BE) 1999-08-11 EP claimed
US-5783702-A Preparation of cisapride TORCAN CHEMICAL LTD. (CA) 1998-07-21 US claimed
WO-1998016511-A1 SYNTHESIS OF CISAPRIDE JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-23 WO claimed
US-5585387-A Prepration of cisapride TORCAN CHEMICAL LTD. (CA) 1996-12-17 US claimed
WO-1996011186-A1 PREPARATION OF CISAPRIDE TORCAN CHEMICAL LTD. (CA) 1996-04-18 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 CYP1A2 139/4885CYP2D6 1563/4885CYP2C19 478/4885
US-20220064166-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 CYP1A2 139/4885CYP2D6 1563/4885CYP2C19 478/4885

“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.