SCHEMBL2138399

SCHEMBL2138399

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1cc(F)ccc1C)CC2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.52
ABCB1 P08183 4/20 0.52
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
KMT2A Q03164 2/20 0.49
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL8982149 0.97 DRD3 (0.54) HTR7ABCB1DRD4DRD3KMT2A
Hydrochloric Acid SCHEMBL4230088 0.96 DRD3 (0.53) HTR7ABCB1DRD4DRD3KMT2A
SCHEMBL10035559 0.91 HTR7 (0.53) HTR7ABCB1DRD4DRD3KMT2A
Hydrochloric Acid SCHEMBL2136656 0.90 HTR7 (0.52) HTR7ABCB1DRD4DRD3KMT2A
SCHEMBL2136801 0.89 HTR7 (0.53) HTR7ABCB1DRD4DRD3KMT2A
SCHEMBL8981144 0.89 DRD3 (0.54) HTR7ABCB1DRD4DRD3KMT2A
SCHEMBL13878296 0.89 DRD2 (0.50) HTR7ABCB1DRD4DRD3KMT2A
SCHEMBL8981314 0.88 DRD3 (0.54) HTR7ABCB1DRD4DRD3KMT2A
Hydrochloric Acid SCHEMBL4230248 0.88 DRD3 (0.54) HTR7ABCB1DRD4DRD3KMT2A
SCHEMBL10035611 0.87 HTR7 (0.49) HTR7ABCB1DRD4DRD3KMT2A

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 10 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
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-20060040977-A1 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-23 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 (2 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 1/4885ABCB1 551/4885DRD4 115/4885
US-20060040977-A1 5-HT7 receptor ligands HTR7, HTR1A, HTR5A HTR7 1/4885ABCB1 669/4885DRD4 109/4885

“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.