SCHEMBL1119683

SCHEMBL1119683

O=C(N1CCc2ncc(C(F)(F)F)cc2C1)C1(CC2CC2)CCN(Cc2ccc3[nH]ncc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ CCR2 P41597 16/20 0.42
▸ KCNH2 Q12809 10/20 0.42
▸ ROCK2 O75116 1/20 0.38
▸ CCR1 P32246 1/20 0.37
▸ TMEM97 Q5BJF2 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
SCHEMBL13074451 0.90 DRD4 (0.41) SIGMAR1DRD4CCR2KCNH2ROCK2
SCHEMBL1119775 0.88 CCR2 (0.41) SIGMAR1CCR2KCNH2CCR1TMEM97
SCHEMBL1119323 0.87 CCR2 (0.44) SIGMAR1CCR2KCNH2CCR1TMEM97
SCHEMBL1120051 0.85 CCR2 (0.41) SIGMAR1CCR2KCNH2CCR1TMEM97
SCHEMBL1119340 0.85 CCR2 (0.40) SIGMAR1CCR2KCNH2CCR1TMEM97
SCHEMBL1119856 0.84 CCR2 (0.43) SIGMAR1CCR2KCNH2CCR1TMEM97
SCHEMBL3735950 0.84 CCR2 (0.42) SIGMAR1CCR2KCNH2CCR1TMEM97
SCHEMBL3742106 0.84 CCR2 (0.42) SIGMAR1CCR2KCNH2CCR1TMEM97
SCHEMBL1119890 0.84 CCR2 (0.42) SIGMAR1CCR2KCNH2CCR1TMEM97
SCHEMBL1119354 0.83 CCR2 (0.41) SIGMAR1CCR2KCNH2CCR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280766-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS CytoPathfinder, Inc. (JP) 2011-02-09 — — EP 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-2009076512-A1 CARBOXAMIDΞ COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS EPIX DELAWARE, INC. (US) 2009-06-18 — — WO claimed
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-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-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
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-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
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 SIGMAR1 2778/4885DRD4 42/4885CCR2 3022/4885
US-20100324035-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 SIGMAR1 390/4885DRD4 2574/4885CCR2 1/4885

“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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