SCHEMBL10116169

SCHEMBL10116169

CC1CC(C)CC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.40
CCR8 P51685 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
SCHEMBL10116151 0.90 NAMPT (0.49) NAMPTNPC1RAB9AMAPTLMNA
SCHEMBL10114605 0.87 NAMPT (0.50) NAMPTNPC1RAB9AMAPTTP53
SCHEMBL10115850 0.85 LMNA (0.47) NAMPTNPC1RAB9AMAPTLMNA
SCHEMBL10134516 0.84 KDM4E (0.46) NAMPTMAPTLMNATP53SMN1; SMN2
SCHEMBL10134515 0.84 KDM4E (0.46) NAMPTMAPTLMNATP53SMN1; SMN2
SCHEMBL10115895 0.84 KDM4E (0.46) NAMPTMAPTLMNATP53SMN1; SMN2
SCHEMBL10115887 0.84 KDM4E (0.46) NAMPTMAPTLMNATP53SMN1; SMN2
SCHEMBL13204454 0.84 NAMPT (0.44) NAMPTMAPTLMNATP53TSHR
SCHEMBL10114976 0.84 NAMPT (0.44) NAMPTMAPTLMNATP53TSHR
SCHEMBL12882838 0.83 TSHR (0.48) NPC1RAB9ALMNATSHREPHX2

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 NAMPT 2678/4885NPC1 1435/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885NPC1 1353/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885NPC1 1462/4885RAB9A 3820/4885

“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.