SCHEMBL13646142

SCHEMBL13646142

Cc1ccc(C2CCNCC2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.50
QDPR P09417 1/20 0.50
HTR2C P28335 4/20 0.49
P2RY14 Q15391 4/20 0.46
SIGMAR1 Q99720 3/20 0.46
ADRB3 P13945 2/20 0.46
ADRA2B P18089 2/20 0.46
DRD1 P21728 2/20 0.46
DRD5 P21918 2/20 0.46
ADRA1B P35368 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
TBK1 Q9UHD2 1/20 0.45
SLC18A3 Q16572 1/20 0.44
NOTUM Q6P988 1/20 0.44
P2RX7 Q99572 1/20 0.42
DHODH Q02127 2/20 0.41
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL17067813 0.89 ACMSD (0.57) ACMSDNOTUMDHODH
SCHEMBL30760594 0.86 QDPR (0.49) QDPRHTR2CSIGMAR1SLC18A3P2RX7
SCHEMBL1315430 0.83 ACMSD (0.73) ACMSDQDPRHTR2CP2RY14SIGMAR1
SCHEMBL13406397 0.81 ACMSD (0.50) ACMSDQDPRHTR2CP2RY14SIGMAR1
Hydrochloric Acid SCHEMBL28221719 0.80 ACMSD (0.49) ACMSDQDPRHTR2CP2RY14SIGMAR1
SCHEMBL29138248 0.80 QDPR (0.54) ACMSDQDPRNOTUMDHODH
SCHEMBL13646124 0.79 P2RY14 (0.44) ACMSDP2RY14
SCHEMBL13646123 0.79 P2RY14 (0.44) ACMSDP2RY14
SCHEMBL13646126 0.79 P2RY14 (0.44) ACMSDP2RY14
SCHEMBL13646125 0.79 P2RY14 (0.44) ACMSDP2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO 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 ACMSD 4046/4885QDPR 171/4885HTR2C 442/4885

“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.