SCHEMBL3449339

SCHEMBL3449339

CN1C=C2C(=O)N(N3CCN(C(=O)[C@@H](NC(=O)Nc4ccc(Cl)cc4)c4ccccc4)CC3)CN2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.40
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
EP300 Q09472 2/20 0.38
MAPT P10636 1/20 0.37
CNR1 P21554 3/20 0.37
FPR2 P25090 4/20 0.36
FPR1 P21462 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASR P41180 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3449851 1.00 CCR1 (0.40) CCR1F10F2EP300MAPT
SCHEMBL3449142 0.87 HTT (0.40) CCR1MAPTCNR1L3MBTL1ALDH1A1
SCHEMBL3450754 0.87 CASR (0.40) CCR1EP300MAPTCNR1FPR2
SCHEMBL3450523 0.86 FPR2 (0.50) FPR2ALDH1A1
SCHEMBL3449435 0.86 UTS2R (0.40) EP300MAPTCNR1FPR2FPR1
SCHEMBL3448775 0.86 FPR2 (0.50) FPR2ALDH1A1
SCHEMBL3451349 0.85 CCR1 (0.49) CCR1
SCHEMBL3451848 0.85 CCR1 (0.44) CCR1F10F2EP300MAPT
SCHEMBL3449677 0.85 CCR1 (0.44) CCR1F10F2EP300MAPT
SCHEMBL3450668 0.85 CCR1 (0.44) CCR1F10F2EP300MAPT

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 2570/4885F10 22/4885F2 1/4885

“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.