SCHEMBL3451876

SCHEMBL3451876

CN1C=C2C(=O)N(N3CCN(C(=O)C(NC(=O)Nc4ccc(Cl)cc4)C4CC4)CC3)CN2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.39
EPHX2 P34913 3/20 0.37
FPR2 P25090 1/20 0.36
RAB9A P51151 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CNR1 P21554 4/20 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
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F10 P00742 2/20 0.33
USP30 Q70CQ3 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL3449091 0.97 FPR2 (0.41) CCR1EPHX2FPR2RAB9ACHRM2
SCHEMBL3449607 0.96 RAB9A (0.41) CCR1EPHX2FPR2RAB9ACHRM2
SCHEMBL3448629 0.94 SMN1; SMN2 (0.38) CCR1EPHX2FPR2RAB9ACNR1
SCHEMBL3451349 0.87 CCR1 (0.49) CCR1
SCHEMBL3449911 0.86 CCR1 (0.38) CCR1EPHX2FPR2CNR1ALDH1A1
SCHEMBL3450096 0.86 CCR1 (0.41) CCR1EPHX2FPR2RAB9ACHRM2
SCHEMBL3450307 0.86 CCR1 (0.38) CCR1EPHX2FPR2CNR1ALDH1A1
SCHEMBL3450204 0.85 CCR1 (0.40) CCR1EPHX2FPR2RAB9ACNR1
SCHEMBL3452171 0.85 CCR1 (0.35) CCR1EPHX2FPR2CNR1ALDH1A1
SCHEMBL3449339 0.84 CCR1 (0.40) CCR1FPR2CNR1ALDH1A1L3MBTL1

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.