SCHEMBL13011606

SCHEMBL13011606

COCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CN(Cc2ccc3ccc(=O)n(C)c3c2)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 19/20 0.39
▸ KCNH2 Q12809 4/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 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
SCHEMBL1119805 0.95 CCR2 (0.39) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL1119807 0.95 CCR2 (0.39) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL1119826 0.95 CCR2 (0.39) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL1119890 0.86 CCR2 (0.42) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL3737027 0.86 CCR2 (0.39) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL3735950 0.86 CCR2 (0.42) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL3742106 0.86 CCR2 (0.42) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL1119859 0.85 CCR2 (0.41) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL3737932 0.85 CCR2 (0.40) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL13074493 0.85 MCHR1 (0.33) KCNH2

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 8 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 disclosed
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 — — US disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 — — US 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
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 3022/4885KCNH2 837/4885CCR1 3651/4885
US-20100324035-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CCR2 1/4885KCNH2 3931/4885CCR1 2/4885

“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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