SCHEMBL3571735

SCHEMBL3571735

CN1CCN=C1c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)C(C=O)N2CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
ADRB2 P07550 1/20 0.40
F10 P00742 9/20 0.39
CNR1 P21554 2/20 0.39
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MCHR1 Q99705 1/20 0.37
CCKBR P32239 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KLK1 P06870 1/20 0.34

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
SCHEMBL3569859 0.85 F10 (0.40) F10CNR1NPC1RAB9A
SCHEMBL3571959 0.85 CCR1 (0.44) F10CNR1RAB9A
SCHEMBL3567337 0.82 F10 (0.42) F10CNR1
SCHEMBL3569450 0.80 F10 (0.40) F10CNR1CHRM1HTR2AMCHR1
SCHEMBL3567061 0.78 F10 (0.45) F10CNR1NPC1RAB9A
SCHEMBL3571731 0.78 CCKBR (0.48) F10CNR1CCKBR
SCHEMBL3563379 0.77 F10 (0.44) F10CNR1CCKBR
SCHEMBL3563103 0.77 CCKBR (0.47) F10CNR1CHRM1HTR2AMCHR1
SCHEMBL3569864 0.77 CCKBR (0.47) F10CNR1CHRM1HTR2AMCHR1
SCHEMBL3562613 0.77 F10 (0.46) F10CNR1CCKBR

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 5 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-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

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 NPSR1 1302/4885ADRB2 4256/4885F10 9/4885

“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.