SCHEMBL13406472

SCHEMBL13406472

C[C@@H]1CNCC[C@@H]1c1cccc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.49
P2RY14 Q15391 1/20 0.47
KDM2B Q8NHM5 1/20 0.42
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KDM1A O60341 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AKT1 P31749 1/20 0.38
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL13406407 1.00 KMO (0.49) KMOP2RY14KDM2BMAPTPKM
SCHEMBL13406404 1.00 KMO (0.49) KMOP2RY14KDM2BMAPTPKM
SCHEMBL13406406 1.00 KMO (0.49) KMOP2RY14KDM2BMAPTPKM
SCHEMBL13406405 1.00 KMO (0.49) KMOP2RY14KDM2BMAPTPKM
SCHEMBL14635437 0.85 ALDH1A1 (0.42) P2RY14MAPTSSTR1SSTR4
SCHEMBL14635980 0.85 ALDH1A1 (0.42) P2RY14MAPTSSTR1SSTR4
SCHEMBL6041699 0.84 KMO (0.50) KMOKDM2BMAPTPKMKDM1A
SCHEMBL13406185 0.82 MAPT (0.48) MAPTPKM
SCHEMBL13406373 0.82 MAPT (0.48) MAPTPKM
SCHEMBL3617008 0.82 MAPT (0.48) MAPTPKM

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
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 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-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 KMO 3696/4885P2RY14 792/4885KDM2B 3701/4885

“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.