SCHEMBL5169212

SCHEMBL5169212

COc1ccc(F)cc1C1(O)C(=Cc2ccccc2)CCCC1CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.41
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 2/20 0.38
SLC6A4 P31645 9/20 0.37
SLC6A2 P23975 8/20 0.37
OPRM1 P35372 6/20 0.37
SLC22A1 O15245 2/20 0.37
OPRK1 P41145 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.35
PIN1 Q13526 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL5169204 1.00 OPRD1 (0.41) OPRD1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL5170075 0.93 SLC6A4 (0.38) OPRD1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL5171867 0.93 SLC6A4 (0.38) OPRD1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL5169473 0.92 OPRD1 (0.36) OPRD1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL5171524 0.92 OPRD1 (0.36) OPRD1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL5171858 0.90 OPRD1 (0.43) OPRD1SLC6A4SLC6A2OPRM1SLC22A1
SCHEMBL5172533 0.90 OPRD1 (0.43) OPRD1SLC6A4SLC6A2OPRM1SLC22A1
SCHEMBL5170633 0.87 OPRD1 (0.42) OPRD1SLC6A4SLC6A2OPRM1SLC22A1
SCHEMBL5170933 0.87 OPRD1 (0.42) OPRD1SLC6A4SLC6A2OPRM1SLC22A1
SCHEMBL5169206 0.84 OPRD1 (0.41) OPRD1SLC6A4SLC6A2OPRM1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322590-B1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES GRUENENTHAL GMBH (DE) 2007-05-02 EP claimed
US-6815443-B2 CARBOCYCLIC OXY AMINES SUCH AS 2-BENZYLIDENE-6-DIMETHYLAMINO METHYLCYCLOHEXANONE, USED AS ANALGESICS GRUENENTHAL GMBH (DE) 2004-11-09 US claimed
US-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives GRUENENTHAL GMBH (DE) 2003-11-27 US claimed
EP-1322590-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP claimed
WO-2002030869-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO claimed
WO-2002028816-A1 SUBSTITUTED 5-AMINO-1-PENTENE-3-OL DERIVATIVES BUSCHMANN, HELMUT 2002-04-11 WO claimed
EP-1322590-B1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES GRUENENTHAL GMBH (DE) 2007-05-02 EP disclosed
US-6815443-B2 CARBOCYCLIC OXY AMINES SUCH AS 2-BENZYLIDENE-6-DIMETHYLAMINO METHYLCYCLOHEXANONE, USED AS ANALGESICS GRUENENTHAL GMBH (DE) 2004-11-09 US disclosed
US-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives GRUENENTHAL GMBH (DE) 2003-11-27 US disclosed
EP-1322590-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP disclosed
WO-2002030869-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO disclosed
WO-2002028816-A1 SUBSTITUTED 5-AMINO-1-PENTENE-3-OL DERIVATIVES BUSCHMANN, HELMUT 2002-04-11 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 (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-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives ALOX5, PGA5, ANXA5 OPRD1 211/4885HTR2A 275/4885HTR2C 149/4885

“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.