SCHEMBL3450072

SCHEMBL3450072

CN1C=C2C(=O)N(CCN3CCN(C(=O)[C@H](NC(=O)Nc4ccc(Cl)cc4)C(C)(C)C)CC3)CN2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
TP53 P04637 5/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CCR1 P32246 3/20 0.36
POLB P06746 1/20 0.36
EPHX2 P34913 2/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
CACNA1G O43497 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
SCHEMBL3448493 0.89 CCR1 (0.41) TP53MAPTSMN1; SMN2CCR1EPHX2
SCHEMBL3448425 0.87 CCR1 (0.41) TP53MAPTCCR1EPHX2LMNA
SCHEMBL3449911 0.85 CCR1 (0.38) CNR1TP53MAPTSMN1; SMN2CCR1
SCHEMBL3450307 0.85 CCR1 (0.38) CNR1TP53MAPTSMN1; SMN2CCR1
SCHEMBL3450194 0.84 CCR1 (0.44) CCR1EPHX2
SCHEMBL3450336 0.81 CCR1 (0.41) CNR1TP53MAPTSMN1; SMN2CCR1
SCHEMBL3450650 0.80 CCR1 (0.40) CCR1EPHX2DRD2HTR2ADRD3
SCHEMBL3452171 0.80 CCR1 (0.35) CNR1TP53MAPTSMN1; SMN2CCR1
SCHEMBL3450732 0.78 CCR1 (0.39) CCR1EPHX2
SCHEMBL3448290 0.78 CCR1 (0.39) CCR1EPHX2

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 CNR1 264/4885TP53 2996/4885MAPT 4264/4885

“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.