SCHEMBL13063398

SCHEMBL13063398

CN1CC(c2cc(C(F)(F)F)ccn2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 16/20 0.45
▸ NOS3 P29474 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ ADRB1 P08588 1/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ DLK1 P80370 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL21037498 0.84 MAP3K12 (0.55) MAP3K12ADRB1MAPK1
SCHEMBL13018943 0.83 MAP3K12 (0.43) MAP3K12NOS3NOS2ADRB1MAPK1
SCHEMBL2338512 0.81 NOS3 (0.50) MAP3K12NOS3NOS2ADRB1MAPK1
SCHEMBL28284245 0.78 NOS3 (0.47) MAP3K12NOS3NOS2ADRB1MAPK1
SCHEMBL3782541 0.77 CHRNB2 (0.51) MAP3K12NOS3NOS2ADRB1MAPK1
SCHEMBL28282678 0.77 NOS3 (0.46) MAP3K12NOS3NOS2ADRB1MAPK1
SCHEMBL31061341 0.77 CHRNB2 (0.51) MAP3K12NOS3NOS2ADRB1MAPK1
SCHEMBL24823772 0.76 CCR1 (0.52) NOS3NOS2
SCHEMBL3788239 0.76 MAP3K12 (0.47) MAP3K12TACR1
SCHEMBL29992344 0.75 NOS3 (0.44) MAP3K12NOS3NOS2ADRB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 — — US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 MAP3K12 1329/4885NOS3 2118/4885NOS2 1351/4885
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 MAP3K12 1329/4885NOS3 2118/4885NOS2 1351/4885

“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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