SCHEMBL13645882

SCHEMBL13645882

CC(C)[C@]1(C(=O)O)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.63
CCR2 P41597 9/20 0.63
TACR1 P25103 10/20 0.51
CCR1 P32246 1/20 0.46

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
SCHEMBL13645885 1.00 KCNH2 (0.63) KCNH2CCR2TACR1CCR1
SCHEMBL3863239 1.00 KCNH2 (0.63) KCNH2CCR2TACR1CCR1
SCHEMBL13645891 0.88 CCR2 (0.61) KCNH2CCR2TACR1
SCHEMBL13650461 0.80 KCNH2 (0.50) KCNH2CCR2TACR1CCR1
SCHEMBL13646024 0.80 CCR2 (0.55) KCNH2CCR2TACR1
SCHEMBL18252874 0.80 KCNH2 (0.48) KCNH2CCR2TACR1CCR1
SCHEMBL5729653 0.79 CCR2 (0.52) KCNH2CCR2TACR1
SCHEMBL23938481 0.78 KCNH2 (0.50) KCNH2CCR2TACR1
SCHEMBL13887072 0.78 KCNH2 (0.48) KCNH2CCR2TACR1
SCHEMBL3616957 0.77 CCR2 (0.56) KCNH2CCR2

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 KCNH2 2543/4885CCR2 3/4885TACR1 81/4885

“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.