SCHEMBL3867710

SCHEMBL3867710

CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 18/20 0.57
▸ CCR1 P32246 1/20 0.57
▸ TMEM97 Q5BJF2 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ KCNH2 Q12809 9/20 0.49

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
SCHEMBL13226303 1.00 CCR2 (0.57) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13645857 0.93 CCR2 (0.54) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13646031 0.93 CCR2 (0.54) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13650495 0.88 CCR2 (0.58) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL17385593 0.84 CCR2 (0.55) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13646158 0.83 CCR2 (0.63) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL5549680 0.83 CCR2 (0.63) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13645862 0.83 CCR2 (0.63) CCR2
SCHEMBL13646037 0.83 CCR2 (0.51) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13646060 0.83 CCR2 (0.63) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 — — US disclosed
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 — — 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-7410961-B2 2,6-disubstituted piperiddines as modulators MERCK & CO., INC. (US) 2008-08-12 — — US disclosed
EP-1501507-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-05-28 — — EP 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
US-20070179158-A1 2,6-Disubstituted piperiddines as modulators MERCK SHARP & DOHME CORP. 2007-08-02 — — US disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 — — US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 — — 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 (3 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-20070179158-A1 2,6-Disubstituted piperiddines as modulators CCR2, CCR7, CCR9 CCR2 1/4885CCR1 6/4885TMEM97 819/4885
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 CCR2 3/4885CCR1 4/4885TMEM97 1640/4885
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 CCR2 3/4885CCR1 1/4885TMEM97 1094/4885

“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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