SCHEMBL10133231

SCHEMBL10133231

CC1CN(c2ccc(NC(=O)NCCC(=O)NS(=O)(=O)C(C)C)cc2)CC(C)O1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
NAMPT P43490 2/20 0.40
CYP2C9 P11712 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
CA7 P43166 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
MCHR1 Q99705 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10114821 1.00 MAPT (0.48) MAPTNAMPTCYP2C9TRPV1CA2
SCHEMBL10134420 0.88 MAPT (0.50) MAPTALDH1A1NPC1USP2MCHR1
SCHEMBL10114811 0.88 MAPT (0.50) MAPTALDH1A1NPC1USP2MCHR1
SCHEMBL12881987 0.86 MAPT (0.48) MAPTNAMPTCYP2C9TRPV1CA2
SCHEMBL13204340 0.86 MAPT (0.48) MAPTNAMPTCYP2C9TRPV1CA2
SCHEMBL17090530 0.84 MAPT (0.43) MAPTALDH1A1TP53ALOX15TSHR
SCHEMBL13566013 0.84 MAPT (0.43) MAPTALDH1A1TP53ALOX15TSHR
SCHEMBL13204580 0.82 MAPT (0.48) MAPTNAMPTCYP2C9TRPV1ALDH1A1
SCHEMBL10115406 0.82 MAPT (0.48) MAPTNAMPTCYP2C9TRPV1ALDH1A1
SCHEMBL10133522 0.82 MAPT (0.48) MAPTNAMPTCYP2C9TRPV1ALDH1A1

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885NAMPT 2350/4885CYP2C9 1654/4885

“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.