SCHEMBL10116334

SCHEMBL10116334

Cc1cc(N2C[C@H](C)O[C@H](C)C2C)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
THRB P10828 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 1/20 0.35

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
SCHEMBL10134530 1.00 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL10116207 0.88 MAPT (0.44) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL10116324 0.88 CRHBP (0.42) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL13222610 0.88 CRHBP (0.42) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL10134529 0.88 CRHBP (0.40) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL10116329 0.88 CRHBP (0.40) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL10116596 0.88 THRB (0.40) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL10134215 0.88 THRB (0.40) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL10134198 0.85 CRHBP (0.39) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL10116369 0.85 CRHBP (0.39) ALDH1A1LMNAMAPTCRHBPCRHR2

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 6 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
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (2 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R ALDH1A1 4558/4885LMNA 1925/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885MAPT 3367/4885

“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.