SCHEMBL2137747

SCHEMBL2137747

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.58
TMEM97 Q5BJF2 2/20 0.58
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
HTR7 P34969 1/20 0.52
ABCB1 P08183 2/20 0.52
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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 SCHEMBL6086174 0.99 SIGMAR1 (0.57) SIGMAR1TMEM97DRD2DRD3HTR7
SCHEMBL8983530 0.97 SIGMAR1 (0.62) SIGMAR1TMEM97DRD2DRD3HTR7
Hydrochloric Acid SCHEMBL4218457 0.96 SIGMAR1 (0.61) SIGMAR1TMEM97DRD2DRD3HTR7
SCHEMBL8983206 0.88 HTR7 (0.61) SIGMAR1TMEM97HTR7
SCHEMBL10035624 0.88 MBTD1 (0.59) SIGMAR1TMEM97DRD2DRD3HTR7
Hydrochloric Acid SCHEMBL4223351 0.87 HTR7 (0.60) SIGMAR1TMEM97HTR7
Hydrochloric Acid SCHEMBL2138894 0.87 MBTD1 (0.58) SIGMAR1TMEM97DRD2DRD3HTR7
SCHEMBL10035566 0.86 HTR7 (0.61) SIGMAR1TMEM97HTR7ABCB1
SCHEMBL8982524 0.86 SIGMAR1 (0.56) SIGMAR1TMEM97DRD2DRD3ABCB1
Hydrochloric Acid SCHEMBL2141264 0.85 HTR7 (0.60) SIGMAR1TMEM97HTR7ABCB1

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 8 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-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-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 SIGMAR1 189/4885TMEM97 106/4885DRD2 42/4885

“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.