SCHEMBL19601334

SCHEMBL19601334

CCC1(C#N)CC(OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
NAAA Q02083 12/20 0.43
DPP4 P27487 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
EPHX2 P34913 1/20 0.36
CYP11B2 P19099 1/20 0.35

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
SCHEMBL18819603 0.85 CTSL (0.51) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL25268815 0.81 CTSL (0.54) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL19210137 0.80 CTSL (0.44) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL28412168 0.80 CTSL (0.44) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1396193 0.79 OPRM1 (0.49) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL20640207 0.79 CTSL (0.51) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL24307075 0.78 CTSL (0.54) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL17516316 0.78 OPRM1 (0.48) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL22594119 0.77 OPRM1 (0.53) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1093376 0.76 OPRM1 (0.47) CTSLCTSBCTSKOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A CTSL 2919/4885CTSB 2876/4885CTSK 2879/4885

“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.