SCHEMBL4892659

SCHEMBL4892659

O=C(O)c1c(CN2CCCC2=O)c(-c2cccc(F)c2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.44
TACR3 P29371 12/20 0.44
GRM2 Q14416 1/20 0.41
TACR2 P21452 1/20 0.41
ADORA2A P29274 1/20 0.41
PDE10A Q9Y233 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL4895783 0.91 BDKRB1 (0.50) DHODHTACR3TACR2
SCHEMBL4884299 0.90 DHODH (0.50) DHODHTACR3TACR2PDE10ALMNA
SCHEMBL4893095 0.83 TACR3 (0.67) TACR3
SCHEMBL4893103 0.83 TACR3 (0.67) TACR3
SCHEMBL4898679 0.83 TACR3 (0.68) TACR3
SCHEMBL4898683 0.83 TACR3 (0.68) TACR3
SCHEMBL5475536 0.80 DHODH (0.50) DHODHTACR3ADORA2APDE10ALMNA
SCHEMBL4887319 0.80 TACR3 (0.67) TACR3TACR2
SCHEMBL4887323 0.80 TACR3 (0.67) TACR3TACR2
SCHEMBL4893649 0.80 TACR2 (0.52) TACR3TACR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 US disclosed
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 US disclosed
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 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-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine TACR1, TACR2, KCNA3 DHODH 3143/4885TACR3 10/4885GRM2 395/4885

“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.