SCHEMBL10035644

SCHEMBL10035644

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.50
ABCB1 P08183 2/20 0.48
KMT2A Q03164 1/20 0.48
HTR7 P34969 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
DRD3 P35462 2/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45

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 SCHEMBL2141208 0.99 TMEM97 (0.49) TMEM97ABCB1KMT2AHTR7KDM4E
SCHEMBL4223134 0.97 TMEM97 (0.51) TMEM97ABCB1KMT2AKDM4EALDH1A1
SCHEMBL10035556 0.88 CCR1 (0.53) TMEM97ABCB1KMT2AHTR7KDM4E
Hydrochloric Acid SCHEMBL2142310 0.87 CCR1 (0.52) ABCB1KMT2AHTR7KDM4EALDH1A1
SCHEMBL8980845 0.85 DRD3 (0.54) TMEM97ABCB1KMT2AHTR7KDM4E
SCHEMBL2137287 0.85 HTR7 (0.58) TMEM97ABCB1KMT2AHTR7
SCHEMBL2135663 0.85 KMT2A (0.60) TMEM97ABCB1KMT2AHTR7ALDH1A1
SCHEMBL10035579 0.84 TMEM97 (0.53) TMEM97ABCB1HTR7DRD3DRD4
SCHEMBL2136803 0.84 TMEM97 (0.62) TMEM97ABCB1HTR7
Hydrochloric Acid SCHEMBL4228365 0.84 DRD3 (0.54) TMEM97ABCB1KMT2AHTR7KDM4E

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 TMEM97 106/4885ABCB1 551/4885KMT2A 2533/4885

“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.