SCHEMBL13646153

SCHEMBL13646153

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ P2RY14 Q15391 1/20 0.38
▸ TACR1 P25103 3/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL13646150 1.00 SSTR1 (0.40) SSTR1SSTR4MAPTPKMSLC22A12
SCHEMBL13646152 1.00 SSTR1 (0.40) SSTR1SSTR4MAPTPKMSLC22A12
SCHEMBL13646151 1.00 SSTR1 (0.40) SSTR1SSTR4MAPTPKMSLC22A12
SCHEMBL18617804 0.82 SLC5A1 (0.37) SSTR1SSTR4MAPTPKM
SCHEMBL13406404 0.80 KMO (0.49) SSTR1SSTR4MAPTPKMP2RY14
SCHEMBL13406472 0.80 KMO (0.49) SSTR1SSTR4MAPTPKMP2RY14
SCHEMBL13406405 0.80 KMO (0.49) SSTR1SSTR4MAPTPKMP2RY14
SCHEMBL13406406 0.80 KMO (0.49) SSTR1SSTR4MAPTPKMP2RY14
SCHEMBL20671885 0.80 DRD2 (0.43) SSTR1SSTR4MAPTPKM
SCHEMBL13406407 0.80 KMO (0.49) SSTR1SSTR4MAPTPKMP2RY14

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 SSTR1 682/4885SSTR4 816/4885MAPT 4627/4885

“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.

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