SCHEMBL15868158

SCHEMBL15868158

CCOC(=O)c1cc(-c2cccc(-c3nccs3)c2)n(C)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.51
▸ MMP13 P45452 2/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ CTSA P10619 1/20 0.46
▸ NR1H2 P55055 1/20 0.42
▸ KCNB1 Q14721 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PHGDH O43175 1/20 0.39

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
SCHEMBL15884137 0.85 FAAH (0.43) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL15868131 0.85 FAAH (0.43) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL15868139 0.84 FAAH (0.42) FAAHMMP13MMP2MMP14CA9
SCHEMBL15868126 0.83 PTGDR2 (0.44) FAAHMMP13MMP2MMP14KCNB1
SCHEMBL15884141 0.80 KCNB1 (0.43) KCNB1PTGDR2GRM5FFAR1
SCHEMBL1779589 0.79 CA9 (0.59) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL4496559 0.78 FAAH (0.57) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL30130655 0.78 FAAH (0.57) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL5078585 0.78 KAT6A (0.49) KCNB1PTGDR2
SCHEMBL15861665 0.76 STIM1 (0.49) CTSANPC1RAB9ASMN1; SMN2GRM5

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 1038/4885MMP13 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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