SCHEMBL13646124

SCHEMBL13646124

Cc1ccc([C@@H]2CCNC[C@@H]2C)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.44
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ACMSD Q8TDX5 2/20 0.35
JAK3 P52333 1/20 0.34

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
SCHEMBL13646126 1.00 P2RY14 (0.44) P2RY14KDM4EGAATSHRMAPT
SCHEMBL13646125 1.00 P2RY14 (0.44) P2RY14KDM4EGAATSHRMAPT
SCHEMBL13646123 1.00 P2RY14 (0.44) P2RY14KDM4EGAATSHRMAPT
SCHEMBL13406478 0.85 P2RY14 (0.45) P2RY14
SCHEMBL13406477 0.85 P2RY14 (0.45) P2RY14
SCHEMBL13406473 0.85 P2RY14 (0.45) P2RY14
SCHEMBL13406479 0.85 P2RY14 (0.45) P2RY14
SCHEMBL13406415 0.83 KDM1A (0.42) P2RY14KDM4E
SCHEMBL13406416 0.83 KDM1A (0.42) P2RY14KDM4E
SCHEMBL13406417 0.83 KDM1A (0.42) P2RY14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 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-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 P2RY14 792/4885KDM4E 3904/4885GAA 4884/4885

“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.