SCHEMBL4895783

SCHEMBL4895783

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.50
TACR3 P29371 13/20 0.46
DHODH Q02127 1/20 0.45
TACR2 P21452 1/20 0.44
KCNH2 Q12809 1/20 0.43
TSHR P16473 1/20 0.42
RCE1 Q9Y256 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PLA2G2A P14555 1/20 0.42

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 0.91 DHODH (0.44) TACR3DHODHTACR2
SCHEMBL4893649 0.91 TACR2 (0.52) BDKRB1TACR3TACR2KCNH2TSHR
SCHEMBL4893095 0.82 TACR3 (0.67) TACR3
SCHEMBL4893103 0.82 TACR3 (0.67) TACR3
SCHEMBL5482733 0.82 TACR3 (0.53) TACR3DHODHKCNH2PLA2G2A
SCHEMBL4898679 0.81 TACR3 (0.68) TACR3
SCHEMBL4898683 0.81 TACR3 (0.68) TACR3
SCHEMBL4668037 0.80 TACR3 (0.53) TACR3DHODHPLA2G2A
SCHEMBL4884299 0.80 DHODH (0.50) TACR3DHODHTACR2KCNH2TSHR
SCHEMBL4887323 0.79 TACR3 (0.67) 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 BDKRB1 46/4885TACR3 10/4885DHODH 3143/4885

“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.