SCHEMBL4884299

SCHEMBL4884299

O=C(O)c1c(CN2CCCC2=O)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.50
PDE10A Q9Y233 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.49
TACR2 P21452 8/20 0.48
POLB P06746 1/20 0.48
TACR3 P29371 8/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
OPRM1 P35372 2/20 0.44
CDC7 O00311 1/20 0.44
EEF2K O00418 1/20 0.44
PLK4 O00444 1/20 0.44
DYRK3 O43781 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44

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
SCHEMBL4892659 0.90 DHODH (0.44) DHODHPDE10ALMNATACR2TACR3
SCHEMBL4893649 0.89 TACR2 (0.52) TSHRTACR2POLBTACR3KCNH2
SCHEMBL5435657 0.83 TACR3 (0.49) DHODHPDE10ALMNATSHRTACR2
SCHEMBL5635725 0.81 TACR3 (0.74) TACR2TACR3CYP2D6CYP2C19OPRM1
SCHEMBL5436914 0.81 DHODH (0.50) DHODHPDE10ALMNATSHRTACR2
SCHEMBL5945370 0.81 TACR2 (0.54) TACR2TACR3OPRM1
SCHEMBL6222134 0.81 TACR2 (0.55) DHODHPDE10ALMNATSHRTACR2
SCHEMBL4896258 0.81 TACR3 (0.63) TACR2TACR3OPRM1
SCHEMBL4896249 0.81 TACR3 (0.63) TACR2TACR3OPRM1
SCHEMBL6202180 0.81 LMNA (0.50) DHODHPDE10ALMNATSHRTACR2

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 3143/4885PDE10A 1367/4885LMNA 2118/4885

“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.