SCHEMBL13011667

SCHEMBL13011667

COC[C@@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(Cc2ccc3oc(=O)n(C)c3c2)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

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
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL13011668 1.00 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1120068 1.00 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13043838 0.95 CCR2 (0.34) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119938 0.95 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119935 0.95 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119949 0.95 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119320 0.94 SLC6A9 (0.36) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13011569 0.94 SLC6A9 (0.36) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119765 0.93 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119970 0.92 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 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 3022/4885CCR1 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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