SCHEMBL10035609

SCHEMBL10035609

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl)CC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
HTR7 P34969 1/20 0.51
ABCB1 P08183 2/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 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 SCHEMBL2141923 0.99 KMT2A (0.53) KMT2AHTR7ABCB1ALDH1A1CYP1A2
SCHEMBL4218308 0.97 ABCB1 (0.52) KMT2AHTR7ABCB1ALDH1A1CYP1A2
SCHEMBL2137698 0.91 HTR7 (0.57) KMT2AHTR7ABCB1TMEM97SIGMAR1
SCHEMBL8982545 0.89 HTR7 (0.54) HTR7ABCB1TMEM97SIGMAR1DRD2
SCHEMBL10035585 0.88 CCR1 (0.53) KMT2AHTR7ABCB1TMEM97SIGMAR1
SCHEMBL10035556 0.88 CCR1 (0.53) KMT2AHTR7ABCB1ALDH1A1KDM4E
SCHEMBL10035632 0.88 HTR7 (0.60) KMT2AHTR7ABCB1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL4231294 0.88 HTR7 (0.53) HTR7ABCB1TMEM97SIGMAR1DRD2
Hydrochloric Acid SCHEMBL2142135 0.87 CCR1 (0.52) KMT2AHTR7ABCB1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL2142310 0.87 CCR1 (0.52) KMT2AHTR7ABCB1ALDH1A1KDM4E

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2533/4885HTR7 1/4885ABCB1 551/4885

“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.