SCHEMBL3450767

SCHEMBL3450767

CN1C=C2C(=O)N(C3CCN(C(=O)[C@@H](Cc4ccc(OCc5ccccc5)cc4)NC(=O)Nc4ccc(Cl)cc4)CC3)CN2C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.45
CHRM2 P08172 5/20 0.45
CHRM1 P11229 5/20 0.45
CHRM3 P20309 3/20 0.45
TACR2 P21452 8/20 0.44
CACNA1B Q00975 1/20 0.41
YAP1 P46937 1/20 0.40

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
SCHEMBL3449020 0.93 FPR2 (0.49) FPR2CHRM2CHRM1CHRM3
SCHEMBL3449290 0.93 FPR2 (0.49) FPR2CHRM2CHRM1CHRM3
SCHEMBL3448805 0.93 FPR2 (0.49) FPR2CHRM2CHRM1CHRM3
SCHEMBL6015050 0.89 YAP1 (0.45) CACNA1BYAP1
SCHEMBL3448717 0.87 FPR2 (0.52) FPR2CHRM2CHRM1CHRM3
SCHEMBL3449428 0.86 CHRM2 (0.45) FPR2CHRM2CHRM1CHRM3
SCHEMBL3449415 0.85 CYP51A1 (0.44) FPR2CHRM2CHRM1CHRM3
SCHEMBL3450219 0.83 CCR1 (0.42) FPR2CHRM2CHRM1CHRM3
SCHEMBL3452313 0.82 CCR1 (0.44) FPR2CHRM2CHRM1CHRM3
SCHEMBL6015065 0.81 ALDH1A1 (0.43) FPR2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 FPR2 417/4885CHRM2 855/4885CHRM1 898/4885

“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.