SCHEMBL10035604

SCHEMBL10035604

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.52
ABCB1 P08183 2/20 0.51
HTR2A P28223 2/20 0.49
HTR6 P50406 2/20 0.49
DRD2 P14416 2/20 0.49
POLB P06746 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
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 SCHEMBL2138605 0.99 HTR7 (0.51) HTR7ABCB1HTR2AHTR6DRD2
SCHEMBL8982224 0.97 HTR7 (0.52) HTR7ABCB1HTR2AHTR6DRD2
Hydrochloric Acid SCHEMBL4223373 0.96 HTR7 (0.52) HTR7ABCB1HTR2AHTR6DRD2
SCHEMBL10035608 0.91 HTR7 (0.55) HTR7ABCB1HTR2AHTR6POLB
SCHEMBL2137978 0.91 HTR7 (0.54) HTR7ABCB1POLBTMEM97CYP3A4
Hydrochloric Acid SCHEMBL2138336 0.90 HTR7 (0.54) HTR7ABCB1POLBTMEM97
SCHEMBL10035639 0.90 CYP3A4 (0.61) HTR7ABCB1POLBTMEM97CYP3A4
SCHEMBL10035558 0.89 HTR7 (0.56) HTR7ABCB1HTR2AHTR6DRD2
Hydrochloric Acid SCHEMBL2142351 0.89 CYP3A4 (0.60) HTR7ABCB1POLBTMEM97CYP3A4
SCHEMBL8981821 0.89 HTR7 (0.55) HTR7ABCB1HTR6DRD2TMEM97

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 HTR7 1/4885ABCB1 551/4885HTR2A 6/4885

“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.