SCHEMBL10114279

SCHEMBL10114279

CCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.57
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ HTT P42858 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HSD17B10 Q99714 4/20 0.44
▸ MAPT P10636 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ TSHR P16473 4/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL10114287 0.90 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL17090164 0.83 CNR2 (0.39) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL10114848 0.77 NPC1 (0.53) SMN1; SMN2KMT2ANPC1RAB9ALMNA
SCHEMBL14424368 0.77 NPC1 (0.53) SMN1; SMN2KMT2ANPC1RAB9ALMNA
SCHEMBL14424375 0.76 NPY5R (0.58) MEN1KMT2AGAAKDM4ENPSR1
SCHEMBL10114879 0.76 NPY5R (0.58) MEN1KMT2AGAAKDM4ENPSR1
SCHEMBL13203765 0.75 ALDH1A1 (0.59) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL10113210 0.75 ALDH1A1 (0.59) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL10114264 0.74 MEN1 (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10114282 0.74 HTT (0.51) SMN1; SMN2HTTLMNAGAAKDM4E

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 11 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
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 SMN1; SMN2 2213/4885MEN1 2876/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885MEN1 2926/4885KMT2A 2953/4885

“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.

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