SCHEMBL15869839

SCHEMBL15869839

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNB4 P30926 3/20 0.40
▸ CHRNA3 P32297 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 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
SCHEMBL15869842 0.89 FAAH (0.42) FAAHKDM4EMMP2MMP13MMP14
SCHEMBL5025661 0.84 FAAH (0.55) FAAHKDM4EMMP2MMP13MMP14
SCHEMBL15869840 0.84 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL15868122 0.82 SMN1; SMN2 (0.45) FAAHKDM4EMMP2MMP13MMP14
SCHEMBL15869830 0.82 CHRNA7 (0.47) FAAHKDM4EMMP2MMP13MMP14
SCHEMBL10958938 0.81 FAAH (0.54) FAAHKDM4EMMP2MMP13MMP14
SCHEMBL30504042 0.81 FAAH (0.54) FAAHKDM4EMMP2MMP13MMP14
SCHEMBL15868129 0.78 FAAH (0.47) FAAHMMP2MMP13MMP14ALDH1A1
SCHEMBL15868156 0.77 FAAH (0.46) FAAHKDM4EMMP2MMP13MMP14
SCHEMBL15869867 0.77 FAAH (0.45) FAAHKDM4EMMP2MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 — — US disclosed
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 — — US disclosed
WO-2014108336-A1 PYRAZOLYL-BASED CARBOXAMIDES II AS CRAC CHANNEL INHIBITORS Grünenthal GmbH (DE) 2014-07-17 — — WO disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II Grünenthal GmbH (DE) 2014-07-10 — — US disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II 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-20140194452-A1 Pyrazolyl-Based Carboxamides II AADAC, VDAC2, NLRP3 FAAH 1408/4885KDM4E 2196/4885MMP2 4292/4885

“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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