SCHEMBL18003014

SCHEMBL18003014

OC[C@H]1CC[C@H](OCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
NAAA Q02083 3/20 0.49
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
IDO1 P14902 2/20 0.45
LIPG Q9Y5X9 1/20 0.41
TACR1 P25103 2/20 0.40
KMT2A Q03164 2/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GBA1 P04062 1/20 0.39
UGCG Q16739 1/20 0.39
GBA2 Q9HCG7 1/20 0.39
MAOB P27338 2/20 0.39
MAPT P10636 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
SCHEMBL18615758 0.82 CARM1 (0.58) CARM1PRMT6NAAAMMP2MMP13
SCHEMBL30755035 0.82 CARM1 (0.58) CARM1PRMT6NAAAMMP2MMP13
SCHEMBL2299635 0.81 CARM1 (0.54) CARM1PRMT6NAAAMMP2MMP13
Hydrochloric Acid SCHEMBL381868 0.80 CARM1 (0.53) CARM1PRMT6NAAAMMP2MMP13
SCHEMBL16761921 0.80 CARM1 (0.49) CARM1PRMT6IDO1TACR1KMT2A
SCHEMBL16761920 0.80 CARM1 (0.49) CARM1PRMT6IDO1TACR1KMT2A
SCHEMBL31381237 0.79 CARM1 (0.50) CARM1PRMT6NAAAMMP2MMP13
SCHEMBL22762091 0.79 OPRM1 (0.49) CARM1PRMT6
SCHEMBL17103669 0.79 OPRM1 (0.49) CARM1PRMT6
SCHEMBL17103670 0.79 OPRM1 (0.49) CARM1PRMT6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 CARM1 601/4885PRMT6 1419/4885NAAA 1308/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CARM1 601/4885PRMT6 1419/4885NAAA 1308/4885

“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.