SCHEMBL13646147

SCHEMBL13646147

O=C(O)c1cc(F)cc([C@@H]2CCNC2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
JAK3 P52333 1/20 0.43
HCAR1 Q9BXC0 1/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
HTR3A P46098 1/20 0.39

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
SCHEMBL13646149 1.00 P2RY14 (0.45) P2RY14TMEM97JAK3HCAR1BCL9
SCHEMBL13406398 0.91 HCAR1 (0.44) P2RY14TMEM97HCAR1BCL9CTNNB1
SCHEMBL29615899 0.82 HCAR1 (0.52) HCAR1
SCHEMBL2407201 0.82 HCAR1 (0.52) HCAR1
SCHEMBL13985025 0.82 HTR3A (0.50) JAK3HTR3A
SCHEMBL1822208 0.82 HTR3A (0.50) HTR3A
SCHEMBL21527890 0.82 HTR3A (0.50) HTR3A
SCHEMBL21527834 0.82 HTR3A (0.50) HTR3A
SCHEMBL13406475 0.80 P2RY14 (0.48) P2RY14TMEM97HCAR1BCL9CTNNB1
SCHEMBL13406482 0.80 P2RY14 (0.48) P2RY14TMEM97HCAR1BCL9CTNNB1

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 792/4885TMEM97 1094/4885JAK3 2763/4885

“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.