SCHEMBL6544207

SCHEMBL6544207

CC1(c2ccccc2)CCC(C)(c2ccccc2)N1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
HTR2A P28223 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PNMT P11086 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL9407936 0.91 OPRM1 (0.41) OPRM1OPRK1OPRL1HTR2AMMP2
SCHEMBL31504306 0.89 HTR2A (0.41) OPRM1OPRK1OPRL1HTR2AMMP2
SCHEMBL31504290 0.81 HTR2A (0.38) OPRM1OPRK1OPRL1HTR2AMMP2
SCHEMBL1071202 0.77 HTR2A (0.41) OPRM1OPRK1OPRL1HTR2AMMP2
SCHEMBL15995119 0.73 OPRM1 (0.42) OPRM1OPRK1OPRL1HTR2AMAOA
SCHEMBL21312268 0.73 OPRM1 (0.42) OPRM1OPRK1OPRL1HTR2AMAOA
SCHEMBL15995122 0.73 OPRM1 (0.42) OPRM1OPRK1OPRL1HTR2AMAOA
SCHEMBL22444908 0.72 OPRM1 (0.38) OPRM1OPRK1OPRL1HTR2AMMP2
SCHEMBL22444801 0.72 OPRM1 (0.38) OPRM1OPRK1OPRL1HTR2AMMP2
SCHEMBL22444802 0.72 OPRM1 (0.38) OPRM1OPRK1OPRL1HTR2AMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122270-A1 In-situ polymerization of monoethylenically unsaturated monomers with secondary amines BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US disclosed
EP-1428838-A1 In situ-polymerization of monoethylenically unsaturated monomers with secondary amines Bayer MaterialScience AG (DE) 2004-06-16 EP disclosed
EP-1428839-A1 In-situ polymerization of monoethylenically unsaturated monomers with secondary amines Bayer MaterialScience AG (DE) 2004-06-16 EP disclosed
US-6686424-B2 USE IN RADICAL POLYMERIZATION; REACTING AN OXIDIZING AGENT WITH A STERICALLY HINDERED SECONDARY AMINE TO PRODUCE A NITROXY RADICAL; ADDING TO THE NITROXY RADICAL ONE OR MORE VINYL MONOMER BAYER AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
EP-1375457-A1 One-pot process for the preparation of functionalized alkoxyamines Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
EP-1375476-A1 A new process for the synthesis of alkoxyamines active in controlled radical polymerization Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
US-20040002606-A1 Process for the synthesis for alkoxy amines and their use in controlled radical polymerization BAYER AKTIENGESELLSCHAFT (DE) 2004-01-01 US disclosed
US-20030236368-A1 PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE BAYER AKTIENGESELLSCHAFT (DE) 2003-12-25 US disclosed
EP-0876413-A1 POLYMERS SUITABLE AS DISPERSING RESINS BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
WO-1997027232-A1 POLYMERS SUITABLE AS DISPERSING RESINS BASF AKTIENGESELLSCHAFT (DE) 1997-07-31 WO disclosed
WO-1997027582-A1 MAGNETIC RECORDING MEDIUM EMTEC MAGNETICS GMBH (DE) 1997-07-31 WO 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-20030236368-A1 PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE NOS1, NOS2, CBR1 OPRM1 93/4885OPRK1 255/4885OPRL1 478/4885
US-20040002606-A1 Process for the synthesis for alkoxy amines and their use in controlled radical polymerization ALKBH3, MAOB, ALKBH1 OPRM1 91/4885OPRK1 259/4885OPRL1 666/4885
US-20040122270-A1 In-situ polymerization of monoethylenically unsaturated monomers with secondary amines ALOX5, PARG, FASN OPRM1 107/4885OPRK1 615/4885OPRL1 1185/4885

“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.