SCHEMBL13439149

SCHEMBL13439149

Cc1cc(NC[C@H]2CC[C@H](N)CC2)ccc1N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
JAK1 P23458 14/20 0.40
SLC18A3 Q16572 1/20 0.36
JAK2 O60674 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL11935405 1.00 OPRM1 (0.41) OPRM1OPRL1JAK1SLC18A3JAK2
SCHEMBL11941110 0.84 OPRL1 (0.46) OPRM1OPRL1JAK1SLC18A3CCR1
SCHEMBL11935273 0.84 OPRL1 (0.46) OPRM1OPRL1JAK1SLC18A3CCR1
SCHEMBL13565102 0.83 NPY5R (0.41) JAK1CCR1
SCHEMBL17090383 0.83 NPY5R (0.41) JAK1CCR1
SCHEMBL13113908 0.79 KDM4E (0.41) OPRM1OPRL1JAK1SLC18A3DRD2
SCHEMBL11935922 0.78 OPRL1 (0.39) OPRL1JAK1DRD2DRD4DRD3
SCHEMBL11935770 0.78 DRD2 (0.43) JAK1DRD2DRD4DRD3CCR1
SCHEMBL13113907 0.75 OPRM1 (0.39) OPRM1OPRL1JAK1SLC18A3JAK2
SCHEMBL11935086 0.72 ERBB2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R OPRM1 56/4885OPRL1 23/4885JAK1 950/4885

“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.