SCHEMBL15868145

SCHEMBL15868145

CCOC(=O)c1cc(-c2cc(C3=CCOCC3)ccc2C)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.44
▸ MMP2 P08253 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA9 Q16790 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.34

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 0.77 FAAH (0.47) FAAHMMP2MMP13MMP14CA9
SCHEMBL15868156 0.77 FAAH (0.46) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL15868152 0.75 FAAH (0.46) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL15868154 0.75 FAAH (0.43) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL15868143 0.75 MMP2 (0.45) FAAHMMP2MMP13MMP14
SCHEMBL15868168 0.75 FAAH (0.45) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL15869830 0.74 CHRNA7 (0.47) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL15868122 0.74 SMN1; SMN2 (0.45) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL15868131 0.73 FAAH (0.43) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL31413485 0.73 PIK3CD (0.40) PDE3BPDE3AKDM4ENPC1RAB9A

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 1038/4885MMP2 4450/4885MMP13 3001/4885

“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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