SCHEMBL10218754

SCHEMBL10218754

CNC(=O)NC1CCN(C(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
CYP2D6 P10635 2/20 0.48
EPHX2 P34913 8/20 0.42
EPHX1 P07099 1/20 0.42
ACKR3 P25106 2/20 0.41
KDM5A P29375 1/20 0.41
CYP3A4 P08684 1/20 0.40
HTR4 Q13639 1/20 0.40

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
SCHEMBL18705054 0.84 ALDH1A1 (0.57) ALDH1A1MAPTHRH3CYP2D6EPHX2
SCHEMBL2948497 0.81 ALDH1A1 (0.58) ALDH1A1MAPTHRH3CYP2D6ACKR3
SCHEMBL12026487 0.81 ALDH1A1 (0.54) ALDH1A1MAPTHRH3CYP2D6EPHX2
SCHEMBL24629364 0.81 ALDH1A1 (0.40) ALDH1A1MAPTHRH3CYP2D6EPHX1
SCHEMBL12885053 0.81 ALDH1A1 (0.55) ALDH1A1MAPTHRH3CYP2D6EPHX2
SCHEMBL24474299 0.80 EPHX1 (0.66) ALDH1A1MAPTHRH3CYP2D6EPHX2
SCHEMBL2609287 0.79 ALDH1A1 (0.53) ALDH1A1MAPTHRH3CYP2D6EPHX2
SCHEMBL2106067 0.79 ALDH1A1 (0.53) ALDH1A1MAPTHRH3CYP2D6EPHX2
SCHEMBL10271099 0.79 EPHX2 (0.46) ALDH1A1EPHX2EPHX1CYP3A4
SCHEMBL18705061 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHRH3CYP2D6EPHX2

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-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG ALDH1A1 1821/4885MAPT 4787/4885HRH3 1271/4885

“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.