SCHEMBL4813403

SCHEMBL4813403

COc1cc2c(cc1OC)CN(CC1CCNCC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ACHE P22303 5/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
SLC6A4 P31645 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ABCC1 P33527 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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 SCHEMBL1625012 0.99 ABCB1 (0.51) ABCB1L3MBTL1ACHEKDM4EGAA
SCHEMBL31134797 0.86 ABCB1 (0.55) ABCB1L3MBTL1ACHEKDM4EGAA
SCHEMBL31534242 0.84 ABCB1 (0.52) ABCB1L3MBTL1ACHEKDM4EGAA
SCHEMBL3504869 0.78 CA2 (0.58) ABCB1L3MBTL1ACHEKDM4EGAA
SCHEMBL14163737 0.76 ABCB1 (0.63) ABCB1L3MBTL1KDM4EGAAMAPT
SCHEMBL2061931 0.76 ACHE (0.45) ABCB1L3MBTL1ACHEKDM4EGAA
SCHEMBL913887 0.76 ABCB1 (0.67) ABCB1L3MBTL1KDM4EGAAMAPT
SCHEMBL2793079 0.76 DRD2 (0.50) ACHEGAAMAPT
SCHEMBL22782546 0.75 ABCB1 (0.46) ABCB1L3MBTL1ACHEKDM4EGAA
SCHEMBL1625860 0.75 ABCB1 (0.54) ABCB1GAAMAPTALDH1A1TSHR

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 13 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-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 ABCB1 528/4885L3MBTL1 4521/4885ACHE 768/4885
US-20060142332-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A ABCB1 520/4885L3MBTL1 4543/4885ACHE 792/4885

“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.