SCHEMBL10035645

SCHEMBL10035645

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.55
ABCB1 P08183 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50

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 SCHEMBL2138769 0.99 HTR7 (0.54) HTR7ABCB1POLBMEN1KMT2A
SCHEMBL8983776 0.97 HTR7 (0.56) HTR7ABCB1MEN1KMT2ATMEM97
Hydrochloric Acid SCHEMBL4228435 0.96 HTR7 (0.55) HTR7ABCB1MEN1KMT2ATMEM97
SCHEMBL10035639 0.91 CYP3A4 (0.61) HTR7ABCB1POLBTMEM97SIGMAR1
SCHEMBL10035621 0.91 HTR7 (0.52) HTR7ABCB1POLBTMEM97SIGMAR1
SCHEMBL10035598 0.91 POLB (0.62) HTR7ABCB1POLBKMT2ATMEM97
Hydrochloric Acid SCHEMBL2142351 0.90 CYP3A4 (0.60) HTR7ABCB1POLBTMEM97SIGMAR1
Hydrochloric Acid SCHEMBL2139072 0.90 HTR7 (0.52) HTR7ABCB1POLBTMEM97SIGMAR1
SCHEMBL10035624 0.90 MBTD1 (0.59) HTR7ABCB1TMEM97SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL2138910 0.90 POLB (0.61) HTR7ABCB1POLBTMEM97SIGMAR1

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 4 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

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 551/4885POLB 3250/4885

“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.