SCHEMBL10114868

SCHEMBL10114868

Cc1cc(N2CC=CC2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CCR8 P51685 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GRIA2 P42262 3/20 0.39
EPHX2 P34913 1/20 0.39
MAPT P10636 2/20 0.39
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
EIF4H Q15056 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
THRB P10828 1/20 0.36

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
SCHEMBL14424188 1.00 ALDH1A1 (0.43) ALDH1A1KCNH2HRH3CCR8RAB9A
SCHEMBL10114405 0.88 HRH3 (0.46) ALDH1A1KCNH2HRH3CCR8RAB9A
SCHEMBL10114745 0.88 HRH3 (0.46) ALDH1A1KCNH2HRH3CCR8RAB9A
SCHEMBL10116053 0.84 HRH3 (0.44) HRH3CCR8RAB9ANPC1KMT2A
SCHEMBL14424269 0.84 NAMPT (0.45) ALDH1A1KCNH2KMT2AMEN1GRIA2
SCHEMBL10114871 0.84 NAMPT (0.45) ALDH1A1KCNH2KMT2AMEN1GRIA2
SCHEMBL10114806 0.83 ALDH1A1 (0.46) ALDH1A1KCNH2HRH3CCR8KMT2A
SCHEMBL14424629 0.81 NPY5R (0.49) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL10114847 0.81 NPY5R (0.49) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL17090255 0.80 NPY5R (0.38) GRIA2

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 9 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-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 ALDH1A1 4558/4885KCNH2 861/4885HRH3 417/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KCNH2 857/4885HRH3 458/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KCNH2 836/4885HRH3 421/4885

“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.