SCHEMBL1047647

SCHEMBL1047647

[CH2]CCOc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.55
DRD4 P21917 6/20 0.55
DRD3 P35462 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
KCNH2 Q12809 3/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
WDR5 P61964 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1047209 0.88 DRD2 (0.59) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL1044318 0.86 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL11510407 0.86 DRD2 (0.52) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL313373 0.85 DRD2 (0.64) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL11428669 0.85 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL8778598 0.85 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL1045912 0.85 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL5929468 0.82 DRD2 (0.68) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL3805304 0.82 DRD2 (0.68) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL11042247 0.81 NQO1 (0.67) L3MBTL1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101282949-B Azole and thiazole derivatives and uses thereof ARGENTA DISCOVERY LTD 2012-05-23 CN claimed
CN-101282949-A Azole and thiazole derivatives and their use ARGENTA DISCOVERY LTD (GB) 2008-10-08 CN claimed
CN-101230049-A Hydroxamic acid histone deacetylase inhibitor as well as preparation method and use thereof UNIV CHINA PHARMA (CN) 2008-07-30 CN claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
EP-1497284-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS Almirall Prodesfarma AG (CH) 2005-01-19 EP claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 WO claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US 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
US-4004927-A Photographic light-sensitive material containing liquid organopolysiloxane FUJI PHOTO FILM CO., LTD. (JA) 1977-01-25 US claimed
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
US-4004927-A Photographic light-sensitive material containing liquid organopolysiloxane FUJI PHOTO FILM CO., LTD. (JA) 1977-01-25 US disclosed
US-3994733-A CYANINE DYES, A BENZOTHIAZOLE, OR BENZOTHIAZOLONE, OR NAPHTHOTHIAZOLE, OR NAPHTHOTHIAZOLONE, OR A QUINOLONE FUJI PHOTO FILM CO., LTD. (JA) 1976-11-30 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 (4 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E DRD2 53/4885DRD4 90/4885DRD3 135/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 DRD2 46/4885DRD4 56/4885DRD3 129/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E DRD2 53/4885DRD4 90/4885DRD3 135/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 DRD2 46/4885DRD4 56/4885DRD3 129/4885

“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.