SCHEMBL3448458

SCHEMBL3448458

CN1CCN(C2CCN(C(=O)[C@H](NC(=O)Nc3ccc(Cl)cc3)C(C)(C)C)CC2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.47
EPHX2 P34913 4/20 0.40
CNR1 P21554 1/20 0.40
RAB9A P51151 1/20 0.38
FPR2 P25090 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
F10 P00742 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.36
ALOX5 P09917 1/20 0.36
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL13123203 0.90 EPHX2 (0.40) CCR1EPHX2FPR2
SCHEMBL14541582 0.88 EPHX2 (0.38) CCR1EPHX2FPR2TRPV1LMNA
SCHEMBL3450101 0.86 CCR1 (0.48) CCR1EPHX2RAB9AFPR2UTS2R
SCHEMBL3449981 0.86 CCR1 (0.48) CCR1EPHX2CNR1RAB9AFPR2
SCHEMBL3448904 0.85 CCR1 (0.48) CCR1EPHX2RAB9AF10TRPV1
SCHEMBL3451858 0.84 F10 (0.51) CCR1EPHX2CNR1RAB9AF10
SCHEMBL3447440 0.82 CCR1 (0.48) CCR1EPHX2RAB9AFPR2UTS2R
SCHEMBL3448743 0.82 CCR1 (0.48) CCR1EPHX2CNR1RAB9AFPR2
SCHEMBL13108480 0.82 CCR1 (0.52) CCR1EPHX2RAB9AF10LMNA
SCHEMBL8264122 0.82 CCR1 (0.42) CCR1CNR1FPR2LMNA

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 5 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-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
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.