SCHEMBL446738

SCHEMBL446738

OC1(c2ccccn2)CC(OCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRL1 P41146 3/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
DPP4 P27487 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
EPHX2 P34913 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
POLB P06746 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
SCHEMBL446380 0.83 CTSL (0.39) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL20284995 0.79 OPRL1 (0.51) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL26775766 0.76 CTSL (0.49) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL27142230 0.75 CTSL (0.38) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL31389819 0.75 CNR2 (0.37) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL19385773 0.75 DPP4 (0.44) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL25317048 0.74 LMNA (0.50) MAOAMAOBEPHX2CNR2LTA4H
SCHEMBL29057950 0.74 SLC6A2 (0.42) PDPK1MTORPOLBSGMS2GRIN2B
Hydrochloric Acid SCHEMBL19385723 0.74 DPP4 (0.43) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL16975554 0.73 OPRM1 (0.49) OPRM1OPRL1CTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
EP-2155716-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS Pfizer Inc. (US) 2010-02-24 EP disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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 (3 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 OPRM1 91/4885OPRL1 1053/4885OPRD1 177/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 OPRM1 91/4885OPRL1 1053/4885OPRD1 177/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 OPRM1 91/4885OPRL1 1053/4885OPRD1 177/4885

“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.