SCHEMBL15868152

SCHEMBL15868152

CCOC(=O)c1cc(-c2cc(C3CCOCC3)ccc2C)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.46
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ DGAT1 O75907 2/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ IDH1 O75874 1/20 0.35

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
SCHEMBL17319162 0.81 FAAH (0.47) FAAHGABRG2GABRB3GABRA5MMP2
SCHEMBL17319165 0.79 FAAH (0.47) FAAHGABRG2GABRB3GABRA5MMP2
SCHEMBL15884071 0.78 FAAH (0.44) FAAHGABRG2GABRB3GABRA5MMP2
SCHEMBL15861707 0.77 STIM1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15868122 0.77 SMN1; SMN2 (0.45) FAAHGABRG2GABRB3GABRA5MMP2
SCHEMBL15869830 0.77 CHRNA7 (0.47) FAAHGABRG2GABRB3GABRA5MMP2
SCHEMBL15884061 0.76 FAAH (0.44) FAAHGABRG2GABRB3GABRA5MMP2
SCHEMBL15868145 0.75 FAAH (0.44) FAAHMMP2MMP13MMP14BRD4
SCHEMBL15861703 0.74 PIM2 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL15869839 0.74 FAAH (0.43) FAAHMMP2MMP13MMP14KDM4E

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 FAAH 1038/4885GABRG2 1861/4885GABRB3 531/4885

“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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