SCHEMBL4405459

SCHEMBL4405459

NC(=O)c1c(CN2CCCC2)c2cc(NC(=O)[CH]CC3CCCCC3)ccc2n1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.40
TP53 P04637 2/20 0.40
MCHR1 Q99705 2/20 0.38
CCR3 P51677 2/20 0.38
EPHX2 P34913 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX12 P18054 1/20 0.36
ALOX5 P09917 1/20 0.36
F2R P25116 2/20 0.36

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
SCHEMBL4405461 0.67 CACNB4 (0.55) ENPP2MCHR1F2R
SCHEMBL4399843 0.67 CACNB4 (0.50) ENPP2TP53MCHR1SMN1; SMN2ALDH1A1
SCHEMBL6705838 0.60 CTSS (0.43) SMN1; SMN2
SCHEMBL4069435 0.60 EPHX2 (0.60) EPHX2SMN1; SMN2
SCHEMBL4798052 0.60 CTSS (0.38) SMN1; SMN2
SCHEMBL28573759 0.60 PPARG (0.43) TP53EPHX2ALDH1A1KDM4E
SCHEMBL9035239 0.59 KDM4E (0.72) MCHR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3017456 0.59 RAB9A (0.40) SMN1; SMN2
SCHEMBL2927563 0.58 MCHR1 (0.75) MCHR1CCR3HTR2CKDM4EALOX12
SCHEMBL5204675 0.58 MCHR1 (0.67) MCHR1SMN1; SMN2HTR2CALDH1A1KDM4E

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-7629319-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
US-7618945-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 US disclosed
US-20060009396-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-12 US disclosed
US-20040138141-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2004-07-15 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-20060009396-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 ENPP2 233/4885TP53 2160/4885MCHR1 997/4885
US-20040138141-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 ENPP2 233/4885TP53 2160/4885MCHR1 997/4885

“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.