SCHEMBL3449256

SCHEMBL3449256

CN1C=C2C(=O)N(C3CCN(C(=O)CC(NC(=O)Nc4ccc(Cl)cc4)c4ccccc4)CC3)CN2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
UTS2R Q9UKP6 3/20 0.40
CACNA2D1 P54289 5/20 0.39
CACNB1 Q02641 5/20 0.39
CACNA1B Q00975 4/20 0.39
CACNA1C Q13936 4/20 0.39
CCR1 P32246 1/20 0.39
CACNA1G O43497 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1A O00555 1/20 0.36
IDO1 P14902 1/20 0.36
CNR1 P21554 1/20 0.36
OPRD1 P41143 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TAS1R3 Q7RTX0 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
SCHEMBL3450993 0.89 EPHX2 (0.45) EPHX2CCR1LMNAHTT
SCHEMBL3451848 0.86 CCR1 (0.44) EPHX2CCR1MAPTLMNASMN1; SMN2
SCHEMBL3450668 0.86 CCR1 (0.44) EPHX2CCR1MAPTLMNASMN1; SMN2
SCHEMBL3449677 0.86 CCR1 (0.44) EPHX2CCR1MAPTLMNASMN1; SMN2
SCHEMBL3449435 0.86 UTS2R (0.40) EPHX2UTS2RCACNA2D1CACNB1CACNA1B
SCHEMBL3449290 0.83 FPR2 (0.49) CCR1
SCHEMBL3448805 0.83 FPR2 (0.49) CCR1
SCHEMBL3449020 0.83 FPR2 (0.49) CCR1
SCHEMBL3449558 0.83 EPHX2 (0.47) EPHX2MAPTLMNAHTTKMT2A
SCHEMBL3450156 0.82 CCR1 (0.45) EPHX2CCR1

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 EPHX2 607/4885UTS2R 7/4885CACNA2D1 3788/4885

“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.