SCHEMBL3450336

SCHEMBL3450336

CN1C=C2C(=O)N(C3CCN(C(=O)[C@H](NC(=O)Nc4ccc(Cl)cc4)C(C)(C)C)C3)CN2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.41
EPHX2 P34913 5/20 0.38
CNR1 P21554 1/20 0.35
RAB9A P51151 3/20 0.34
USP30 Q70CQ3 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 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
SCHEMBL3450194 0.95 CCR1 (0.44) CCR1EPHX2RAB9AUTS2RFPR2
SCHEMBL3450650 0.91 CCR1 (0.40) CCR1EPHX2RAB9AUTS2RDRD2
SCHEMBL3450732 0.89 CCR1 (0.39) CCR1EPHX2RAB9AUTS2RFPR2
SCHEMBL3448290 0.89 CCR1 (0.39) CCR1EPHX2RAB9ANR3C1FPR2
SCHEMBL3448709 0.88 CCR1 (0.38) CCR1EPHX2RAB9AUTS2RFPR2
SCHEMBL3450544 0.88 CCR1 (0.38) CCR1EPHX2CNR1RAB9AUTS2R
SCHEMBL3451089 0.87 EPHX2 (0.40) CCR1EPHX2LMNA
SCHEMBL3447614 0.86 EPHX2 (0.38) CCR1EPHX2MAPTALDH1A1FPR2
SCHEMBL3449233 0.85 CCR1 (0.54) CCR1
SCHEMBL3449084 0.85 CCR1 (0.54) CCR1

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 607/4885CNR1 264/4885

“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.