SCHEMBL6498555

SCHEMBL6498555

OCC1CCN(CC[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.53
OPRM1 P35372 1/20 0.51
OPRL1 P41146 1/20 0.51
TACR2 P21452 2/20 0.49
CCR5 P51681 5/20 0.46
HTR1A P08908 2/20 0.44
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
Hydrochloric Acid SCHEMBL6492304 0.99 NOS2 (0.52) NOS2OPRM1OPRL1TACR2CCR5
SCHEMBL6576553 0.83 NOS2 (0.53) NOS2OPRM1OPRL1TACR2CCR5
Fumaric Acid SCHEMBL6577457 0.79 NOS2 (0.60) NOS2OPRM1OPRL1TACR2CCR5
Fumaric Acid SCHEMBL6577450 0.79 NOS2 (0.60) NOS2OPRM1OPRL1TACR2CCR5
SCHEMBL6577453 0.79 NOS2 (0.52) NOS2OPRM1OPRL1CCR5CYP2D6
SCHEMBL6576611 0.78 NOS2 (0.55) NOS2OPRM1OPRL1CYP2D6CYP1A2
SCHEMBL6502845 0.76 NOS2 (0.62) NOS2OPRM1OPRL1HTR1ACYP2D6
Fumaric Acid SCHEMBL6579315 0.76 NOS2 (0.61) NOS2OPRM1OPRL1CYP2D6CYP1A2
Fumaric Acid SCHEMBL6579320 0.76 NOS2 (0.61) NOS2OPRM1OPRL1CYP2D6CYP1A2
SCHEMBL6498779 0.74 NOS2 (0.71) NOS2CYP2D6SLC6A2SLC6A4

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-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US claimed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP claimed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US claimed
JP-2003523988-A 2003-08-12 JP claimed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO claimed
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 NOS2 3/4885OPRM1 143/4885OPRL1 730/4885

“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.