SCHEMBL17018474

SCHEMBL17018474

C=Cc1ccccc1[C@H](C)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.40
ACACA Q13085 3/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MTNR1A P48039 6/20 0.37
MTNR1B P49286 6/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9318516 0.82 ALDH1A1 (0.36) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL17021753 0.81 HDAC3 (0.38) HTTCYP2C9
SCHEMBL31733679 0.79 MAPT (0.43) HTT
SCHEMBL20587889 0.77 ACACB (0.43) ACACBACACAHTTL3MBTL1MTNR1A
SCHEMBL1801879 0.77 HTR2A (0.41) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7723692 0.75 ALDH1A1 (0.46) ACACBACACAHTTL3MBTL1MTNR1A
SCHEMBL10956121 0.75 ALDH1A1 (0.38)
SCHEMBL640982 0.74 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19658634 0.74 L3MBTL1 (0.50) ACACBACACAHTTL3MBTL1
SCHEMBL17018471 0.74 HTT (0.66) ACACBACACAHTTL3MBTL1MTNR1A

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-9278968-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-03-08 US disclosed
US-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2015-08-20 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-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS PRKG1, PDE3B, PDE3A ACACB 2588/4885ACACA 1663/4885HTT 4358/4885

“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.