SCHEMBL13011569

SCHEMBL13011569

COCC1(C(=O)N2Cc3cc(C(F)(F)F)cnc3C2)CCN(Cc2ccc3oc(=O)n(C)c3c2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 6/20 0.36
▸ USP2 O75604 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SPR P35270 1/20 0.34
▸ CCR2 P41597 7/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL1119320 1.00 SLC6A9 (0.36) SLC6A9USP2CYP3A4CYP2D6TSHR
SCHEMBL13011668 0.94 CCR2 (0.39) CYP3A4KCNH2CCR2CCR1TMEM97
SCHEMBL1120068 0.94 CCR2 (0.39) CYP3A4KCNH2CCR2CCR1TMEM97
SCHEMBL13011667 0.94 CCR2 (0.39) CYP3A4KCNH2CCR2CCR1TMEM97
SCHEMBL13043838 0.90 CCR2 (0.34) KCNH2CCR2CCR1TMEM97SIGMAR1
SCHEMBL1119935 0.89 CCR2 (0.39) KCNH2CCR2CCR1TMEM97SIGMAR1
SCHEMBL1119938 0.89 CCR2 (0.39) KCNH2CCR2CCR1TMEM97SIGMAR1
SCHEMBL1119949 0.89 CCR2 (0.39) KCNH2CCR2CCR1TMEM97SIGMAR1
SCHEMBL1119765 0.88 CCR2 (0.39) KCNH2CCR2CCR1TMEM97SIGMAR1
SCHEMBL1119970 0.87 CCR2 (0.40) KCNH2CCR2CCR1TMEM97SIGMAR1

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 SLC6A9 3699/4885USP2 4672/4885CYP3A4 2839/4885
US-20100324035-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 SLC6A9 4232/4885USP2 4146/4885CYP3A4 1316/4885

“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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