SCHEMBL2135663

SCHEMBL2135663

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)CC2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
ABCB1 P08183 2/20 0.53
ALDH1A1 P00352 1/20 0.52
HTR7 P34969 1/20 0.51
CYP19A1 P11511 1/20 0.49
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
POLB P06746 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 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
SCHEMBL8982513 0.97 KMT2A (0.57) KMT2AABCB1ALDH1A1HTR7TMEM97
Hydrochloric Acid SCHEMBL4230252 0.96 KMT2A (0.56) KMT2AABCB1ALDH1A1HTR7TMEM97
SCHEMBL2140293 0.91 KMT2A (0.55) KMT2AABCB1ALDH1A1HTR7TMEM97
SCHEMBL10035585 0.89 CCR1 (0.53) KMT2AABCB1HTR7TMEM97SIGMAR1
SCHEMBL10035556 0.89 CCR1 (0.53) KMT2AABCB1ALDH1A1HTR7TMEM97
SCHEMBL4223248 0.88 ABCB1 (0.52) KMT2AABCB1ALDH1A1HTR7TMEM97
Hydrochloric Acid SCHEMBL2142135 0.88 CCR1 (0.52) KMT2AABCB1HTR7TMEM97SIGMAR1
SCHEMBL2139395 0.88 KMT2A (0.52) KMT2AABCB1ALDH1A1HTR7TMEM97
Hydrochloric Acid SCHEMBL2142310 0.88 CCR1 (0.52) KMT2AABCB1ALDH1A1HTR7DRD2
SCHEMBL2137287 0.88 HTR7 (0.58) KMT2AABCB1HTR7TMEM97SIGMAR1

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 KMT2A 2533/4885ABCB1 551/4885ALDH1A1 3390/4885
US-20060040977-A1 5-HT7 receptor ligands HTR7, HTR1A, HTR5A KMT2A 2831/4885ABCB1 669/4885ALDH1A1 2871/4885

“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.