SCHEMBL3315465

SCHEMBL3315465

NN1CCSc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
RYR2 Q92736 1/20 0.38
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 3/20 0.37
DHODH Q02127 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
DRD4 P21917 1/20 0.37
MAPK1 P28482 1/20 0.36

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
Hydrochloric Acid SCHEMBL5636567 0.98 NOTUM (0.50) NOTUMKDM4ELMNAHPGDL3MBTL1
SCHEMBL5637075 0.92 NOTUM (0.45) NOTUMKDM4ELMNAHPGDL3MBTL1
Hydrochloric Acid SCHEMBL5638604 0.90 NOTUM (0.44) NOTUMKDM4ELMNAHPGDL3MBTL1
SCHEMBL161298 0.78 NOTUM (0.38) NOTUMKDM4EL3MBTL1GAAGSK3B
Hydrochloric Acid SCHEMBL27645147 0.77 NOTUM (0.37) NOTUMKDM4EL3MBTL1GAAGSK3B
SCHEMBL3969979 0.75 NOTUM (0.56) NOTUMKDM4ELMNAHPGDL3MBTL1
SCHEMBL3969974 0.75 NOTUM (0.51) NOTUMKDM4ELMNAHPGDL3MBTL1
SCHEMBL19157294 0.75 NOTUM (0.51) NOTUMKDM4ELMNAHPGDL3MBTL1
SCHEMBL3965007 0.75 MAPT (0.52) NOTUMKDM4ELMNAHDAC1HDAC6
SCHEMBL2361734 0.72 NOTUM (0.53) NOTUMKDM4ELMNAHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609891-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA CELLULAR THERAPIES INC (US) 2026-02-11 EP 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
US-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2023-01-12 US disclosed
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
US-20220332716-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2022-10-20 US disclosed
US-11453670-B2 Substituted heterocycle fused gamma-carbolines synthesis INTRA-CELLULAR THERAPIES, INC. (US) 2022-09-27 US disclosed
US-11407751-B2 Hydrochloric acid salt of (6bR,10aS)-3-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline INTRA-CELLULAR THERAPIES, INC. (US) 2022-08-09 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
CN-1370176-A Subsstituted heterocycle fused gamma-carbolines BRISTOL MYERS SQUIBB CO (US) 2002-09-18 CN disclosed
US-5849731-A Indole derivatives and medical application thereof TORAY INDUSTRIES, INC. (JP) 1998-12-15 US disclosed
EP-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 EP disclosed
CN-1165517-A Indole derivatives and medical use thereof TORAY INDUSTRIES (JP) 1997-11-19 CN disclosed
EP-0805157-A1 INDOLE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1997-11-05 EP disclosed
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
US-5223625-A Antagonistic acitivity on 5-hydroxytryptamine receptors DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-06-29 US disclosed
CN-1069732-A 1, the 2-that 7-a pair of horses going side by side is closed (piperazine alkyl) indole derivatives and preparation method and intermediate product and the medicament that contains these compounds KALI CHEMIE PHARMA GMBH (DE) 1993-03-10 CN disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 EP disclosed
EP-0377238-A1 New annelated indolo (3,2-c)-lactams DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-07-11 EP 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 (8 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-20220332716-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 NOTUM 3019/4885KDM4E 3461/4885LMNA 1958/4885
US-20240327409-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 NOTUM 2986/4885KDM4E 3378/4885LMNA 2085/4885
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 NOTUM 2685/4885KDM4E 597/4885LMNA 1196/4885
US-11453670-B2 Substituted heterocycle fused gamma-carbolines synthesis HCCS, CYCS, CBR3 NOTUM 2986/4885KDM4E 3378/4885LMNA 2085/4885
US-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 NOTUM 2986/4885KDM4E 3378/4885LMNA 2085/4885
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 NOTUM 3694/4885KDM4E 1708/4885LMNA 3113/4885
US-11407751-B2 Hydrochloric acid salt of (6bR,10aS)-3-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline COX5B, IDH3B, CYP2J2 NOTUM 4470/4885KDM4E 2282/4885LMNA 2504/4885
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 NOTUM 2840/4885KDM4E 448/4885LMNA 1364/4885

“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.