SCHEMBL1712015

SCHEMBL1712015

[c]1ccc(COC2CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
DPP4 P27487 1/20 0.38
CARM1 Q86X55 5/20 0.36
PRMT6 Q96LA8 5/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
PRMT8 Q9NR22 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD4 P21917 2/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 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
SCHEMBL7296549 0.96 CTSL (0.39) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL3950555 0.94 CTSL (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1711784 0.92 CTSL (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL7334694 0.84 LIPG (0.34)
SCHEMBL7295826 0.81 NPC1 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL7306429 0.80 LIPG (0.34)
SCHEMBL3660170 0.79 OPRM1 (0.56) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL7294572 0.79 NPC1 (0.36) CTSLCTSBCTSKCARM1PRMT6
SCHEMBL4962479 0.79 CARM1 (0.48) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL15272809 0.78 CTSL (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 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-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 CTSL 4090/4885CTSB 4024/4885CTSK 4597/4885

“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.