SCHEMBL3449104

SCHEMBL3449104

CN1C=C2C(=O)N(C3CCN(C(=O)[C@H](NC(=O)Nc4ccc(Cl)cc4)C4CCCCC4)CC3)CN2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
RAB9A P51151 2/20 0.41
EPHX1 P07099 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FPR2 P25090 3/20 0.41
EPHX2 P34913 5/20 0.39
CYP3A4 P08684 1/20 0.37
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 1/20 0.36
CNR1 P21554 1/20 0.36
CCR3 P51677 1/20 0.36
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL3450096 0.96 CCR1 (0.41) CCR1RAB9AEPHX1SMN1; SMN2NPC1
SCHEMBL3450156 0.88 CCR1 (0.45) CCR1RAB9AEPHX2CHRM2CHRM1
SCHEMBL3450194 0.87 CCR1 (0.44) CCR1RAB9AFPR2EPHX2CHRM2
SCHEMBL3449607 0.87 RAB9A (0.41) CCR1RAB9AEPHX1SMN1; SMN2NPC1
SCHEMBL3449084 0.86 CCR1 (0.54) CCR1
SCHEMBL3449233 0.86 CCR1 (0.54) CCR1
SCHEMBL3449091 0.86 FPR2 (0.41) CCR1RAB9AEPHX1SMN1; SMN2NPC1
SCHEMBL3450219 0.86 CCR1 (0.42) CCR1FPR2EPHX2CHRM2CHRM1
SCHEMBL3450633 0.85 CCR1 (0.37) CCR1RAB9AEPHX1SMN1; SMN2NPC1
SCHEMBL3449034 0.85 ALDH1A1 (0.39) CCR1RAB9AEPHX1SMN1; SMN2NPC1

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 2570/4885RAB9A 3460/4885EPHX1 2064/4885

“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.