SCHEMBL12690425

SCHEMBL12690425

CC(C)Nc1cnc(C(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.30

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
SCHEMBL12690256 0.77 HCAR3 (0.34) HCAR3
SCHEMBL12690242 0.76 HCAR3 (0.44) HCAR3KDM4E
SCHEMBL29024293 0.75 CFTR (0.39) MAPT
SCHEMBL824021 0.75 TSHR (0.32) —
SCHEMBL20462622 0.73 ALDH1A1 (0.42) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL12690881 0.73 ALDH1A1 (0.58) HCAR3KDM4E
SCHEMBL5044824 0.72 HCAR3 (0.43) HCAR3TRPM8CYP1A2
SCHEMBL15382065 0.72 HCAR3 (0.43) HCAR3TRPM8MAPTNPC1RAB9A
SCHEMBL12690245 0.72 HCAR3 (0.40) HCAR3KDM4E
SCHEMBL20464260 0.72 MAPK1 (0.38) HCAR3MAPTNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580825-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 — — US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 — — US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 — — 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-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 HCAR3 211/4885TRPM8 1384/4885KDM4E 3731/4885

“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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