SCHEMBL3449171

SCHEMBL3449171

CN1C=C2C(=O)N(C3CCN(C(=O)[C@](Cc4ccccc4)(NC(=O)O)C(C)(C)C)CC3)CN2C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.31
FKBP1A P62942 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP8 P22894 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL3449487 0.92 MAPT (0.37) CHRM4TP53LMNAALDH1A1SMN1; SMN2
SCHEMBL3451164 0.91 ALDH1A1 (0.34) CHRM1ALDH1A1MAPT
SCHEMBL3451298 0.84 CHRM1 (0.36) CHRM1CHRM4CHRM5LMNAMMP8
SCHEMBL3451771 0.82 TP53 (0.37) TP53L3MBTL1KMT2A
SCHEMBL3449883 0.79 EPHX2 (0.37) TP53LMNASMN1; SMN2MAPT
SCHEMBL950445 0.79 F10 (0.32)
SCHEMBL948330 0.78 F10 (0.41)
SCHEMBL6015065 0.76 ALDH1A1 (0.43) CHRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3451041 0.76 ALDH1A1 (0.43) CHRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6014965 0.73 CCR1 (0.39) TP53

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.