SCHEMBL3563103

SCHEMBL3563103

CN1CCN=C1c1ccc(NC(=O)C(CC(=O)N2CCCCCC2)NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.47
F10 P00742 10/20 0.45
ALDH1A1 P00352 1/20 0.40
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
CNR1 P21554 1/20 0.39
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL3569864 1.00 CCKBR (0.47) CCKBRF10ALDH1A1CHRM1HTR2A
SCHEMBL3571731 0.99 CCKBR (0.48) CCKBRF10ALDH1A1CNR1F11
SCHEMBL3568325 0.91 F10 (0.49) CCKBRF10ALDH1A1CNR1EPHX2
SCHEMBL3562613 0.88 F10 (0.46) CCKBRF10CNR1
SCHEMBL3562133 0.88 F10 (0.46) CCKBRF10CNR1
SCHEMBL3567021 0.88 F10 (0.46) CCKBRF10CNR1
SCHEMBL3563910 0.87 F10 (0.45) CCKBRF10CNR1
SCHEMBL3557895 0.86 F10 (0.44) CCKBRF10CNR1
SCHEMBL3569854 0.86 F10 (0.44) CCKBRF10ALDH1A1CNR1
SCHEMBL8264057 0.86 F10 (0.40) CCKBRF10F11KLKB1EPHX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US claimed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 CCKBR 1599/4885F10 9/4885ALDH1A1 1143/4885

“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.