SCHEMBL3451298

SCHEMBL3451298

CN1C=C2C(=O)N(N3CCN(C(=O)[C@](Cc4ccccc4)(NC(=O)O)C(C)(C)C)CC3)CN2C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP8 P22894 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL3449171 0.84 CHRM1 (0.33) CHRM1CHRM4CHRM5ALDH1A1LMNA
SCHEMBL6015137 0.75 KMT2A (0.46) CHRM1ALDH1A1KMT2ACYP3A4
SCHEMBL3452052 0.69
SCHEMBL3448878 0.69
SCHEMBL3450523 0.67 FPR2 (0.50) CHRM1ALDH1A1CYP3A4
SCHEMBL3451771 0.66 TP53 (0.37) KMT2A
SCHEMBL3449162 0.65
SCHEMBL3447797 0.65 ALDH1A1 (0.41) CHRM1CHRM4CHRM5ALDH1A1LMNA
SCHEMBL3449478 0.65 EPHX2 (0.33) ALDH1A1LMNAKMT2ACYP2C9CYP2C19
SCHEMBL3448869 0.65 HRH2 (0.33) KMT2A

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 2 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

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 CHRM1 898/4885CHRM4 3021/4885CHRM5 2348/4885

“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.