SCHEMBL10035581

SCHEMBL10035581

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)CC2

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.56
TMEM97 Q5BJF2 3/20 0.53
HTR7 P34969 8/20 0.53
CCR1 P32246 1/20 0.51
HTR1A P08908 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR6 P50406 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 SCHEMBL2138567 0.99 ABCB1 (0.56) ABCB1TMEM97HTR7CCR1HTR1A
SCHEMBL8982531 0.97 TMEM97 (0.54) ABCB1TMEM97HTR7
Hydrochloric Acid SCHEMBL4228496 0.96 TMEM97 (0.53) ABCB1TMEM97HTR7
SCHEMBL10035595 0.91 ABCB1 (0.64) ABCB1HTR7HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL2141854 0.90 ABCB1 (0.63) ABCB1HTR7HTR1AHTR2AHTR2C
SCHEMBL8983540 0.88 ABCB1 (0.61) ABCB1HTR7HTR1AHTR2AHTR2C
SCHEMBL10035577 0.88 HTR1A (0.57) ABCB1TMEM97HTR7HTR1AHTR2A
Hydrochloric Acid SCHEMBL2140355 0.87 HTR1A (0.56) ABCB1TMEM97HTR7HTR1AHTR2A
Hydrochloric Acid SCHEMBL4221512 0.87 ABCB1 (0.60) ABCB1HTR7HTR1AHTR2AHTR2C
SCHEMBL10035578 0.87 HTR7 (0.55) ABCB1TMEM97HTR7

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 ABCB1 551/4885TMEM97 106/4885HTR7 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.