SCHEMBL17224145

SCHEMBL17224145

Brc1ccc([C@@H]2CN(Cc3ccccc3)CCO2)nc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.49
DRD4 P21917 4/20 0.48
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL17224143 1.00 CNR2 (0.49) CNR2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL25178173 0.86 CNR2 (0.55) CNR2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL26154079 0.85 DRD4 (0.54) CNR2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL17224106 0.85 CNR2 (0.51) CNR2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL17224103 0.85 CNR2 (0.51) CNR2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL25171592 0.82 CNR2 (0.53) CNR2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL2294865 0.81 CNR2 (0.64) CNR2DRD4
SCHEMBL323333 0.81 CNR2 (0.64) CNR2DRD4
SCHEMBL2298372 0.81 CNR2 (0.64) CNR2DRD4
SCHEMBL13490548 0.78 DRD4 (0.52) DRD4

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-3137459-B1 MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed
US-9840501-B2 Morpholin-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-12-12 US disclosed
EP-3137459-A1 MORPHOLIN-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-03-08 EP disclosed
US-20170044145-A1 MORPHOLIN-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-16 US disclosed
WO-2015165835-A1 MORPHOLIN-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-11-05 WO disclosed
WO-2015165085-A1 MORPHOLIN-PYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2015-11-05 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-20170044145-A1 MORPHOLIN-PYRIDINE DERIVATIVES OPRM1, MC2R, OPRL1 CNR2 40/4885DRD4 102/4885CYP1A2 112/4885

“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.