SCHEMBL2981071

SCHEMBL2981071

CCC1CC(OCc2ccccc2)CN1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP2C19 P33261 1/20 0.40
DPP4 P27487 1/20 0.39
NOS3 P29474 6/20 0.38
NOS1 P29475 6/20 0.38
NOS2 P35228 6/20 0.38
NAAA Q02083 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
SCHEMBL14555331 1.00 CTSL (0.43) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL24928599 0.86 DPP4 (0.44) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1584174 0.86 CTSL (0.42) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL6238619 0.86 DPP4 (0.44) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL2981006 0.85 GLB1 (0.41) CTSLCTSBCTSKOPRM1OPRL1
Hydrochloric Acid SCHEMBL2146342 0.84 CTSL (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL19249780 0.84 BCHE (0.52) CTSLCTSBCTSKBCHEACHE
SCHEMBL27500080 0.84 BCHE (0.52) CTSLCTSBCTSKBCHEACHE
SCHEMBL13759699 0.84 BCHE (0.52) CTSLCTSBCTSKBCHEACHE
Methyl Alcohol SCHEMBL27520381 0.84 BCHE (0.49) BCHEACHENOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
EP-1950198-B1 PROCESS FOR PRODUCTION OF BENZYLOXYPYRROLIDINE DERIVATIVE, AND PROCESS FOR PRODUCTION OF HYDROCHLORIDE SALT POWDER OF OPTICALLY ACTIVE BENZYLOXYPYRROLIDINE DERIVATIVE TORAY FINECHEMICALS CO LTD (JP) 2014-08-06 EP disclosed
US-7772406-B2 Process for production of benzyloxypyrrolidine derivative, and process for production of hydrochloride salt powder of optically active benzyloxypyrrolidine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2010-08-10 US disclosed
US-20090093643-A1 Process for Production of Benzyloxypyrrolidine Derivative, and Process for Production of Hydrochloride Salt Powder of Optically Active Benzyloxypyrrolidine Derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-04-09 US disclosed
EP-1950198-A1 PROCESS FOR PRODUCTION OF BENZYLOXYPYRROLIDINE DERIVATIVE, AND PROCESS FOR PRODUCTION OF HYDROCHLORIDE SALT POWDER OF OPTICALLY ACTIVE BENZYLOXYPYRROLIDINE DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2008-07-30 EP 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-20090093643-A1 Process for Production of Benzyloxypyrrolidine Derivative, and Process for Production of Hydrochloride Salt Powder of Optically Active Benzyloxypyrrolidine Derivative HPD, PAH, DHPS CTSL 1220/4885CTSB 3076/4885CTSK 3877/4885

“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.