SCHEMBL3450096

SCHEMBL3450096

CN1C=C2C(=O)N(C3CCN(C(=O)C(NC(=O)Nc4ccc(Cl)cc4)C4CC4)CC3)CN2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.41
EPHX2 P34913 5/20 0.39
FPR2 P25090 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
RAB9A P51151 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
CNR1 P21554 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL3449104 0.96 CCR1 (0.42) CCR1EPHX2FPR2CHRM2CHRM1
SCHEMBL3450156 0.90 CCR1 (0.45) CCR1EPHX2CHRM2CHRM1CHRM3
SCHEMBL3450194 0.90 CCR1 (0.44) CCR1EPHX2FPR2CHRM2CHRM1
SCHEMBL3449233 0.89 CCR1 (0.54) CCR1
SCHEMBL3449084 0.89 CCR1 (0.54) CCR1
SCHEMBL3450219 0.88 CCR1 (0.42) CCR1EPHX2FPR2CHRM2CHRM1
SCHEMBL3450650 0.87 CCR1 (0.40) CCR1EPHX2FPR2CHRM2CHRM1
SCHEMBL3449677 0.86 CCR1 (0.44) CCR1EPHX2FPR2RAB9ACNR1
SCHEMBL3450530 0.86 CCR1 (0.44) CCR1EPHX2TRPV1
SCHEMBL3452313 0.86 CCR1 (0.44) CCR1EPHX2FPR2CHRM2CHRM1

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 CCR1 2570/4885EPHX2 607/4885FPR2 417/4885

“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.