SCHEMBL2139052

SCHEMBL2139052

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1cc(C)c(Cl)cc1C)CC2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.50
KMT2A Q03164 1/20 0.50
HTR7 P34969 1/20 0.49
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 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
SCHEMBL8982210 0.97 ABCB1 (0.52) ABCB1KMT2AHTR7TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL4234411 0.96 ABCB1 (0.51) ABCB1KMT2ATMEM97SIGMAR1
SCHEMBL13878296 0.87 DRD2 (0.50) ABCB1KMT2AHTR7TMEM97SIGMAR1
SCHEMBL2135663 0.87 KMT2A (0.60) ABCB1KMT2AHTR7TMEM97SIGMAR1
SCHEMBL2137287 0.85 HTR7 (0.58) ABCB1KMT2AHTR7TMEM97SIGMAR1
SCHEMBL10035519 0.85 HTR7 (0.62) HTR7
SCHEMBL2140476 0.85 HTR7 (0.56) ABCB1KMT2AHTR7TMEM97SIGMAR1
SCHEMBL2140293 0.84 KMT2A (0.55) ABCB1KMT2AHTR7TMEM97SIGMAR1
SCHEMBL10035609 0.84 KMT2A (0.54) ABCB1KMT2AHTR7TMEM97SIGMAR1
SCHEMBL10035585 0.84 CCR1 (0.53) ABCB1KMT2AHTR7TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-20060040977-A1 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-23 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-20090088450-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A ABCB1 551/4885KMT2A 2533/4885HTR7 1/4885
US-20060040977-A1 5-HT7 receptor ligands HTR7, HTR1A, HTR5A ABCB1 669/4885KMT2A 2831/4885HTR7 1/4885

“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.