SCHEMBL1119949

SCHEMBL1119949

COC[C@@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(Cc2ccc3c(c2)oc(=O)n3C)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 18/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38

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
SCHEMBL1119938 1.00 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119935 1.00 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1120068 0.95 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13011668 0.95 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13011667 0.95 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119992 0.92 CCR2 (0.40) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13043838 0.90 CCR2 (0.34) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13011569 0.89 SLC6A9 (0.36) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119320 0.89 SLC6A9 (0.36) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL3737932 0.89 CCR2 (0.40) CCR2CCR1TMEM97SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 — — US claimed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 — — US claimed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 — — US claimed
WO-2010129843-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS CYTOPATHFINDER, INC. (JP) 2010-11-11 — — WO claimed
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 — — US disclosed
EP-2280766-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS CytoPathfinder, Inc. (JP) 2011-02-09 — — EP disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 — — US disclosed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 — — US disclosed
WO-2010129843-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS CYTOPATHFINDER, INC. (JP) 2010-11-11 — — WO disclosed
WO-2009076512-A1 CARBOXAMIDΞ COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS EPIX DELAWARE, INC. (US) 2009-06-18 — — WO 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 (2 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-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS ALDH1A2, QDPR, PDE6C CCR2 3022/4885CCR1 3651/4885TMEM97 2264/4885
US-20100324035-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CCR2 1/4885CCR1 2/4885TMEM97 1032/4885

“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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