SCHEMBL1626801

SCHEMBL1626801

COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.51
NR1H2 P55055 1/20 0.50
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
STS P08842 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6590781 0.87 KMT2A (0.48) HPGDESR2NR1H2RAB9AMAPK1
SCHEMBL26928833 0.87 ESR2 (0.65) ESR2NR1H2NPC1MAPK1ALDH1A1
SCHEMBL12750205 0.82 KMT2A (0.53) HPGDUSP2TSHRNPC1RAB9A
SCHEMBL1626453 0.81 MAPK1 (0.54) USP2TSHRNPC1RAB9AMAPK1
SCHEMBL3674212 0.80 STS (0.54) HPGDRECQLSTSNPC1RAB9A
SCHEMBL22782389 0.80 MMP2 (0.57) USP2TSHRNPC1RAB9AMAPK1
Hydrochloric Acid SCHEMBL1626443 0.80 MAPK1 (0.53) USP2TSHRNPC1RAB9AMAPK1
SCHEMBL30278467 0.80 ESR2 (0.63) ESR2NR1H2NPC1MAPK1KMT2A
SCHEMBL19068970 0.80 ESR2 (0.60) ESR2NR1H2NPC1MAPK1ALDH1A1
SCHEMBL8793500 0.80 ESR2 (0.63) ESR2NR1H2NPC1MAPK1KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831195-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2012-12-19 EP disclosed
EP-1831195-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2012-12-19 EP disclosed
US-7928121-B2 2-[1-(5-Chloro-2,4-difluoro-benzenesulfonyl)-piperidin-4-ylmethyl]-1,2,3,4-tetrahydroisoquinolinehydrochloride; antidepressant, anxiolytic, hypotensive agent; psychosis, schizophrenia, migraine, cognition activity; pharmacokinetics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-19 US disclosed
US-7928121-B2 2-[1-(5-Chloro-2,4-difluoro-benzenesulfonyl)-piperidin-4-ylmethyl]-1,2,3,4-tetrahydroisoquinolinehydrochloride; antidepressant, anxiolytic, hypotensive agent; psychosis, schizophrenia, migraine, cognition activity; pharmacokinetics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-19 US disclosed
US-7928121-B2 2-[1-(5-Chloro-2,4-difluoro-benzenesulfonyl)-piperidin-4-ylmethyl]-1,2,3,4-tetrahydroisoquinolinehydrochloride; antidepressant, anxiolytic, hypotensive agent; psychosis, schizophrenia, migraine, cognition activity; pharmacokinetics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-19 US disclosed
US-20080214603-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-09-04 US disclosed
US-20080214603-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-09-04 US disclosed
US-20080214603-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-09-04 US disclosed
US-7345057-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-18 US disclosed
US-7345057-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-18 US disclosed
US-7345057-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-18 US disclosed
EP-1831195-A1 5-HT7 RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-12 EP disclosed
WO-2006069776-A1 5-HT7 RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
EP-1676844-A1 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 EP disclosed
US-20060142332-A1 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-29 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 (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-20080214603-A1 5-Ht7 Receptor Antagonists HTR7, HTR1A, HTR5A HPGD 1681/4885RECQL 1869/4885ESR2 774/4885
US-20060142332-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A HPGD 1601/4885RECQL 2005/4885ESR2 718/4885

“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.