SCHEMBL4986022

SCHEMBL4986022

NC(COCc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.77
CACNA1F O60840 1/20 0.55
CACNA1D Q01668 1/20 0.55
CACNA1S Q13698 1/20 0.55
CACNA1C Q13936 1/20 0.55
IDO1 P14902 3/20 0.53
CYP3A4 P08684 2/20 0.53
AGXT P21549 2/20 0.53
SCN4A P35499 2/20 0.50
TDO2 P48775 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
SCHEMBL8966079 0.87 TACR1 (1.00) TACR1IDO1CYP3A4AGXTTDO2
SCHEMBL18580091 0.83 TACR1 (0.70) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL16321476 0.83 TACR1 (0.70) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4988525 0.83 TACR1 (0.70) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7968352 0.83 TACR1 (0.65) TACR1IDO1CYP3A4AGXT
SCHEMBL7968356 0.83 TACR1 (0.65) TACR1IDO1CYP3A4AGXT
SCHEMBL4987208 0.81 TACR1 (0.77) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL949577 0.80 PNMT (0.62) TACR1IDO1CYP3A4AGXTSCN4A
SCHEMBL30715499 0.79 TACR1 (0.69) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL252456 0.79 TACR1 (0.69) TACR1CACNA1FCACNA1DCACNA1SCACNA1C

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-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 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-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 TACR1 814/4885CACNA1F 4631/4885CACNA1D 4430/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 TACR1 814/4885CACNA1F 4631/4885CACNA1D 4430/4885

“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.