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SCHEMBL10114818

SCHEMBL10114818

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ncccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 9/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ROCK2 O75116 3/20 0.39
▸ ROCK1 Q13464 3/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ RPS6KA5 O75582 2/20 0.38
▸ PKN2 Q16513 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ CHUK O15111 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK2 P24941 1/20 0.38

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
SCHEMBL14627691 1.00 GRIA2 (0.42) GRIA2NPY5RCYP2C19ALDH1A1NPSR1
SCHEMBL10114823 0.88 GRIA2 (0.40) GRIA2NPY5RCYP1A2ABL1TYK2
SCHEMBL14424639 0.88 GRIA2 (0.40) GRIA2NPY5RCYP1A2ABL1TYK2
SCHEMBL14424745 0.82 NPY5R (0.60) NPY5RALDH1A1NPSR1TYK2POLB
SCHEMBL10114459 0.82 NPY5R (0.60) NPY5RALDH1A1NPSR1TYK2POLB
SCHEMBL13204268 0.80 MAPT (0.56) GRIA2ALDH1A1NPSR1ROCK2ROCK1
SCHEMBL10114697 0.80 MAPT (0.56) GRIA2ALDH1A1NPSR1ROCK2ROCK1
SCHEMBL10114056 0.80 MEN1 (0.50) ALDH1A1CDK2CDK5HTT
SCHEMBL10116001 0.80 CYP2D6 (0.46) GRIA2CYP2C19ALDH1A1NPSR1CYP1A2
SCHEMBL10114035 0.79 EPHX2 (0.56) GRIA2ABL1POLBCDK2CDK5

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 10 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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 GRIA2 347/4885NPY5R 1/4885CYP2C19 1251/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 334/4885NPY5R 1/4885CYP2C19 1491/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 358/4885NPY5R 1/4885CYP2C19 1159/4885

“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.