SCHEMBL10035629

SCHEMBL10035629

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1cccc3c(Cl)cccc13)CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.62
TP53 P04637 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2C19 P33261 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HTR1A P08908 1/20 0.49
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
MAPK1 P28482 3/20 0.48
THPO P40225 2/20 0.48
NFKB1 P19838 1/20 0.48
ABCB1 P08183 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
PMP22 Q01453 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 SCHEMBL2139102 0.99 HTR7 (0.61) HTR7TP53CYP1A2CYP3A4CYP2C19
SCHEMBL10035632 0.94 HTR7 (0.60) HTR7KMT2ATSHRTDP1HTR1A
Hydrochloric Acid SCHEMBL2138832 0.94 HTR7 (0.59) HTR7KMT2ATSHRTDP1ABCB1
SCHEMBL2137698 0.91 HTR7 (0.57) HTR7KMT2AABCB1
SCHEMBL2137287 0.91 HTR7 (0.58) HTR7KMT2AABCB1
SCHEMBL2140476 0.90 HTR7 (0.56) HTR7KMT2AABCB1
SCHEMBL10035567 0.89 HTR7 (0.78) HTR7HTR1AABCB1
SCHEMBL2142685 0.88 HTR7 (0.53) HTR7ABCB1
SCHEMBL8982545 0.88 HTR7 (0.54) HTR7ABCB1
Hydrochloric Acid SCHEMBL2135478 0.88 HTR7 (0.77) HTR7HTR1AABCB1

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 1/4885TP53 4807/4885CYP1A2 579/4885

“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.