SCHEMBL1626453

SCHEMBL1626453

COc1cc2c(cc1OC)CN(C(=O)C1CCNCC1)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
KMT2A Q03164 6/20 0.54
NPC1 O15118 1/20 0.54
MEN1 O00255 4/20 0.53
HRH3 Q9Y5N1 1/20 0.52
ATM Q13315 1/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PDE4B Q07343 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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 SCHEMBL1626443 0.99 MAPK1 (0.53) MAPK1KMT2ANPC1MEN1HRH3
SCHEMBL6007696 0.87 KMT2A (0.50) MAPK1KMT2ANPC1MEN1HRH3
SCHEMBL6588272 0.87 KMT2A (0.50) MAPK1KMT2ANPC1MEN1HRH3
SCHEMBL6007689 0.87 KMT2A (0.50) MAPK1KMT2ANPC1MEN1HRH3
SCHEMBL12750205 0.86 KMT2A (0.53) MAPK1KMT2ANPC1MEN1HRH3
SCHEMBL22782389 0.86 MMP2 (0.57) MAPK1KMT2ANPC1MEN1HRH3
Hydrochloric Acid SCHEMBL6007653 0.86 KMT2A (0.49) MAPK1KMT2ANPC1MEN1HRH3
Hydrochloric Acid SCHEMBL6007647 0.86 KMT2A (0.49) MAPK1KMT2ANPC1MEN1HRH3
SCHEMBL3504812 0.81 KEAP1 (0.55) KMT2APDE4BRAB9ASMN1; SMN2PDE4D
SCHEMBL1626801 0.81 HPGD (0.53) MAPK1KMT2ANPC1MEN1HRH3

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 16 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
CN-101090898-A 5-HT 7 receptor antagonists ESTEVE LABOR DR (ES) 2007-12-19 CN 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 MAPK1 2793/4885KMT2A 2422/4885NPC1 1916/4885
US-20060142332-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A MAPK1 2679/4885KMT2A 2373/4885NPC1 1856/4885

“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.