SCHEMBL15868144

SCHEMBL15868144

COC(=O)c1cc(-c2cc(-c3ccncc3)ccc2C)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.46
▸ MMP13 P45452 2/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ CYP46A1 Q9Y6A2 1/20 0.42
▸ ESRRA P11474 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ FAAH O00519 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ GSK3B P49841 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
SCHEMBL15868129 0.88 FAAH (0.47) MMP13MMP2MMP14PPARGPPARA
SCHEMBL15868165 0.86 PPARG (0.43) PPARGPPARAESRRAGSK3BPLA2G10
SCHEMBL17381180 0.83 MMP2 (0.43) MMP13MMP2MMP14CYP46A1SLC2A1
SCHEMBL15861533 0.79 IL2 (0.43) PPARGPPARASMN1; SMN2
SCHEMBL16026022 0.78 PTGS2 (0.63) MAPK9SMN1; SMN2PTGS2
SCHEMBL15861655 0.78 F10 (0.41) PPARGPPARASMN1; SMN2
SCHEMBL15868156 0.76 FAAH (0.46) MMP13MMP2MMP14ESRRAFAAH
SCHEMBL20656276 0.72 FAAH (0.56) MMP13MMP2MMP14PPARGPPARA
SCHEMBL22578393 0.71 TP53 (0.54) MMP13MMP2MMP14GABRA2FAAH
SCHEMBL12278777 0.71 NR4A2 (0.49) NR4A2MMP13MMP2MMP14GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206136-B2 Pyrazolyl-based carboxamides I Grünenthal GmbH (DE) 2015-12-08 — — US disclosed
US-9206136-B2 Pyrazolyl-based carboxamides I Grünenthal GmbH (DE) 2015-12-08 — — US disclosed
WO-2014108337-A1 PYRAZOLYL-BASED CARBOXAMIDES I AS CRAC CHANNEL INHIBITORS Grünenthal GmbH (DE) 2014-07-17 — — WO disclosed
US-20140194443-A1 Pyrazolyl-Based Carboxamides I Grünenthal GmbH (DE) 2014-07-10 — — 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 (1 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-20140194443-A1 Pyrazolyl-Based Carboxamides I AADAC, HDAC3, NLRP3 NR4A2 1403/4885MMP13 3001/4885MMP2 4450/4885

“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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