SCHEMBL5170298

SCHEMBL5170298

CN(C)CC1CCCC(=Cc2ccc(Cl)cc2)C1(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 1/20 0.39
OPRK1 P41145 9/20 0.38
OPRM1 P35372 6/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KCNN4 O15554 2/20 0.36
SLC22A1 O15245 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL5171889 1.00 OPRD1 (0.39) OPRD1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL7151699 0.93 SLC6A2 (0.36) OPRD1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL5172029 0.92 OPRD1 (0.43) OPRD1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL5171492 0.92 OPRD1 (0.43) OPRD1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL5168554 0.90 OPRD1 (0.43) OPRD1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL5168563 0.90 OPRD1 (0.43) OPRD1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL5170621 0.89 SLC6A2 (0.45) OPRD1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL5170848 0.89 SLC6A2 (0.45) OPRD1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL5170304 0.88 SMN1; SMN2 (0.45) OPRD1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL5170300 0.88 SMN1; SMN2 (0.45) OPRD1SLC6A2SLC6A4SLC6A3OPRK1

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 9 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

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 211/4885SLC6A2 2600/4885SLC6A4 1810/4885

“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.