SCHEMBL10114037

SCHEMBL10114037

CC(C)[S+]([O-])NC1CCC(C(=O)Nc2cccnc2Oc2ccc(F)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
P2RY1 P47900 9/20 0.48
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 1/20 0.44
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GPR6 P46095 2/20 0.39
POLB P06746 1/20 0.39
MAPK14 Q16539 2/20 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
SCHEMBL13204042 0.83 MAPT (0.54) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL13052677 0.81 MAPT (0.55) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL13203773 0.80 MAPT (0.54) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL10133358 0.80 MAPT (0.54) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL12882305 0.71 GAA (0.47) MAPTPOLBMAPK14
SCHEMBL10310316 0.69 MAPT (0.66) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL10114019 0.68 MTNR1A (0.52) POLB
SCHEMBL4451565 0.68 KDM4E (0.55) MAPT
SCHEMBL13113420 0.68 MAPT (0.64) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL13973209 0.67 MAPT (0.64) MAPTP2RY1CARM1PRMT6NPC1

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 4 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-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

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

For each of this compound's patents that has machine-readable text (1 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885P2RY1 477/4885CARM1 1327/4885

“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.