SCHEMBL10035563

SCHEMBL10035563

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1cc(Br)ccc1OC)CC2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
SIGMAR1 Q99720 3/20 0.58
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
GLA P06280 1/20 0.52
DRD3 P35462 2/20 0.52
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
HTR7 P34969 1/20 0.52
ABCB1 P08183 2/20 0.51
TMEM97 Q5BJF2 2/20 0.50
DRD2 P14416 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 SCHEMBL2136811 0.99 SMN1; SMN2 (0.58) SMN1; SMN2SIGMAR1KDM4EMEN1ALDH1A1
SCHEMBL8982792 0.97 SMN1; SMN2 (0.58) SMN1; SMN2SIGMAR1KDM4EMEN1ALDH1A1
SCHEMBL8982796 0.96 SMN1; SMN2 (0.57) SMN1; SMN2SIGMAR1KDM4EMEN1ALDH1A1
Oxalic Acid SCHEMBL4219567 0.93 SIGMAR1 (0.58) SMN1; SMN2SIGMAR1KDM4EMEN1ALDH1A1
SCHEMBL10035528 0.91 HTR7 (0.59) SMN1; SMN2SIGMAR1GLADRD4HTR7
Hydrochloric Acid SCHEMBL2138553 0.90 HTR7 (0.58) SMN1; SMN2SIGMAR1GLADRD4HTR7
SCHEMBL8982524 0.89 SIGMAR1 (0.56) SIGMAR1KDM4EMEN1ALDH1A1MAPT
SCHEMBL10035601 0.89 ABCB1 (0.62) ABCB1
SCHEMBL8980469 0.88 HTR7 (0.60) SMN1; SMN2SIGMAR1GLADRD4HTR7
Hydrochloric Acid SCHEMBL4228412 0.88 SIGMAR1 (0.55) SIGMAR1KDM4EMEN1ALDH1A1MAPT

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 SMN1; SMN2 1236/4885SIGMAR1 189/4885KDM4E 3871/4885

“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.