SCHEMBL3367358

SCHEMBL3367358

O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.47
DRD3 P35462 1/20 0.47
ACKR3 P25106 1/20 0.41
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
PRKAA2 P54646 1/20 0.39
JAK1 P23458 1/20 0.38

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
SCHEMBL3331190 0.91 NPY5R (0.48) NPY5RDRD3TNKSTNKS2PRKAA2
SCHEMBL3344193 0.89 NPY5R (0.47) NPY5RDRD3ACKR3TNKSTNKS2
SCHEMBL3344844 0.85 NPY5R (0.47) NPY5RDRD3
SCHEMBL3343381 0.85 NPY5R (0.49) NPY5RDRD3ACKR3TNKSTNKS2
SCHEMBL3319938 0.85 NPY5R (0.49) NPY5RDRD3
SCHEMBL3346374 0.84 TNKS (0.49) NPY5RDRD3ACKR3TNKSTNKS2
SCHEMBL3340753 0.84 LMNA (0.50) NPY5RDRD3JAK1
SCHEMBL3342660 0.84 DHODH (0.49) NPY5RDRD3ACKR3
SCHEMBL10192500 0.84 NPY5R (0.51) NPY5RDRD3JAK1
SCHEMBL3325703 0.84 NPY5R (0.51) NPY5RDRD3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653125-B2 Cyclohexane derivative having NPY Y5 receptor antagonism SHIONOGI CO., LTD. (JP) 2014-02-18 US disclosed
US-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2012-01-05 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-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R NPY5R 1/4885DRD3 342/4885ACKR3 159/4885

“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.