SCHEMBL4893649

SCHEMBL4893649

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 6/20 0.52
TACR3 P29371 12/20 0.51
KCNH2 Q12809 6/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.47
BDKRB1 P46663 1/20 0.47
OPRM1 P35372 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RCE1 Q9Y256 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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) TACR2TACR3KCNH2KDM4EALDH1A1
SCHEMBL4884299 0.89 DHODH (0.50) TACR2TACR3KCNH2KDM4EALDH1A1
SCHEMBL5945356 0.83 TACR3 (0.55) TACR2TACR3KCNH2OPRM1
SCHEMBL5635725 0.82 TACR3 (0.74) TACR2TACR3OPRM1
SCHEMBL5945365 0.80 TACR3 (0.57) TACR2TACR3KCNH2OPRM1
SCHEMBL4892659 0.80 DHODH (0.44) TACR2TACR3
SCHEMBL4896249 0.79 TACR3 (0.63) TACR2TACR3OPRM1
SCHEMBL4896258 0.79 TACR3 (0.63) TACR2TACR3OPRM1
SCHEMBL2372595 0.77 SMN1; SMN2 (0.54) TACR2TACR3KDM4EALDH1A1POLB
SCHEMBL14115125 0.77 SMN1; SMN2 (0.54) TACR2TACR3KDM4EALDH1A1POLB

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 TACR2 2/4885TACR3 10/4885KCNH2 132/4885

“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.