SCHEMBL72030

SCHEMBL72030

[CH2]CCOc1c(C)cc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
HTR1A P08908 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL292606 0.81 KMT2A (0.41) KMT2AHTR1AMEN1MAPTL3MBTL1
SCHEMBL11586498 0.79 KMT2A (0.47) KMT2AHTR1AMEN1MAPTL3MBTL1
SCHEMBL13079438 0.79 MAPT (0.53) KMT2AHTR1AMEN1MAPTL3MBTL1
SCHEMBL8552558 0.78 SCN8A (0.40) KMT2AMAPTALDH1A1LMNA
SCHEMBL26125757 0.77 KMT2A (0.46) KMT2AHTR1AMEN1MAPTL3MBTL1
SCHEMBL5592615 0.77 KMT2A (0.46) KMT2AHTR1AMEN1MAPTL3MBTL1
SCHEMBL6481244 0.77 ALDH1A1 (0.50) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL11586422 0.77 KMT2A (0.46) KMT2AHTR1AMEN1MAPTL3MBTL1
SCHEMBL3398525 0.77 HTR1A (0.58) KMT2AHTR1AMEN1MAPTL3MBTL1
SCHEMBL8675264 0.76 MAPT (0.50) KMT2AHTR1AMEN1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
WO-2023189817-A1 ONIUM SALT, ONIUM SALT COMPOSITION, LIQUID COMPOSITION CONTAINING ONIUM SALT AND POLYSACCHARIDE AND PRODUCTION METHOD THEREOF, AND METHOD FOR RECOVERING POLYSACCHARIDE 広栄化学株式会社 2023-10-05 WO disclosed
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2020-03-17 US disclosed
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL SA (ES) 2019-06-20 US disclosed
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2018-07-31 US disclosed
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2017-11-09 US disclosed
EP-0227640-B1 POLYOLEFINS STABILISED BY BIS-(POLYALKYLPIPERIDINYL-AMINO)-1,3,5-TRIAZINES CIBA-GEIGY AG (CH) 1993-05-26 EP disclosed
EP-0107615-B1 POLYOLEFINS STABILIZED BY BIS OR TRIS (POLYALKYLPIPERIDINYL-AMINO) 1,3,5-TRIAZINES CIBA-GEIGY AG (CH) 1992-10-28 EP disclosed
US-5102927-A Againts oxidative and light induced degradation CIBA-GEIGY CORPORATION (US) 1992-04-07 US disclosed
EP-0227640-A1 Polyolefins stabilised by bis-(polyalkylpiperidinyl-amino)-1,3,5-triazines CIBA-GEIGY AG (CH) 1987-07-01 EP disclosed
EP-0107615-A1 Polyolefins stabilized by bis or tris (polyalkylpiperidinyl-amino) 1,3,5-triazines CIBA-GEIGY AG (CH) 1984-05-02 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KMT2A 2844/4885HTR1A 2/4885MEN1 852/4885
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 KMT2A 1698/4885HTR1A 536/4885MEN1 3961/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KMT2A 2421/4885HTR1A 2/4885MEN1 959/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 KMT2A 3203/4885HTR1A 578/4885MEN1 4586/4885
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 KMT2A 1568/4885HTR1A 499/4885MEN1 4421/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 KMT2A 2967/4885HTR1A 930/4885MEN1 4710/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KMT2A 2844/4885HTR1A 2/4885MEN1 852/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KMT2A 2421/4885HTR1A 2/4885MEN1 959/4885

“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.