SCHEMBL4399843

SCHEMBL4399843

NC(=O)c1ccccc1C[CH]C(=O)Nc1ccc2c(c1)c(CN1CCCC1)cn2Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 5/20 0.50
▸ CACNA1A O00555 5/20 0.50
▸ CACNA1G O43497 5/20 0.50
▸ CACNG3 O60359 5/20 0.50
▸ CACNA1F O60840 5/20 0.50
▸ CACNA1H O95180 5/20 0.50
▸ CACNB3 P54284 5/20 0.50
▸ CACNA2D1 P54289 5/20 0.50
▸ CACNG7 P62955 5/20 0.50
▸ CACNA1B Q00975 5/20 0.50
▸ CACNA1D Q01668 5/20 0.50
▸ CACNB1 Q02641 5/20 0.50
▸ CACNG1 Q06432 5/20 0.50
▸ CACNB2 Q08289 5/20 0.50
▸ CACNA1S Q13698 5/20 0.50
▸ CACNA1C Q13936 5/20 0.50
▸ CACNA1E Q15878 5/20 0.50
▸ CACNA2D4 Q7Z3S7 5/20 0.50
▸ CACNA2D3 Q8IZS8 5/20 0.50
▸ CACNG8 Q8WXS5 5/20 0.50

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
SCHEMBL4399845 0.78 CACNB4 (0.54) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4402392 0.74 ICMT (0.45) KDM4EICMTMAPTPOLBALDH1A1
SCHEMBL4405461 0.73 CACNB4 (0.55) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4405459 0.67 ENPP2 (0.40) ENPP2F2RMCHR1KDM4EALOX12
SCHEMBL2774515 0.66 NPC1 (0.51) KDM4ELMNAALDH1A1HTTMEN1
SCHEMBL2912053 0.64 NPC1 (0.54) KDM4EMAPTPOLBALDH1A1MEN1
SCHEMBL3386016 0.64 CACNB4 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL11799398 0.61 NPC1 (0.50) KDM4EMAPTPOLBTP53ALDH1A1
SCHEMBL5183675 0.61 NPSR1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5526682 0.61 GAA (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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 CACNB4 3941/4885CACNA1A 4608/4885CACNA1G 3266/4885
US-20040138141-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 CACNB4 3941/4885CACNA1A 4608/4885CACNA1G 3266/4885

“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.

Send feedback