SCHEMBL3569863

SCHEMBL3569863

CN1CCN=C1c1ccc(NC(=O)C(CC(=O)N2CCCCC2)N(C(N)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
F10 P00742 9/20 0.38
CHRM1 P11229 1/20 0.37
MCHR1 Q99705 1/20 0.37
ADRB2 P07550 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MAPT P10636 1/20 0.35
CCKBR P32239 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
SCHEMBL3571727 0.99 F10 (0.38) ALDH1A1F10CHRM1MCHR1ADRB2
SCHEMBL3568322 0.92 F10 (0.39) ALDH1A1F10ADRB2POLB
SCHEMBL3563906 0.90 F10 (0.40) F10CHRM1MCHR1MAPT
SCHEMBL3562609 0.89 F10 (0.40) F10CHRM1MCHR1MAPT
SCHEMBL3557893 0.87 F10 (0.39) F10CHRM1MCHR1MAPT
SCHEMBL3569851 0.87 F10 (0.39) F10CHRM1MCHR1MAPT
SCHEMBL3564282 0.84 F10 (0.39) F10CHRM1MCHR1POLBMAPT
SCHEMBL3574011 0.84 F10 (0.39) F10CHRM1MCHR1MAPT
SCHEMBL3563374 0.84 F10 (0.39) F10CHRM1MCHR1MAPT
SCHEMBL3566368 0.83 F10 (0.42) F10MAPT

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 ALDH1A1 1143/4885F10 9/4885CHRM1 2432/4885

“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.