SCHEMBL12690242

SCHEMBL12690242

CC(C)CNc1cnc(C(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ ESR1 P03372 7/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ESR2 Q92731 1/20 0.34
▸ HRH4 Q9H3N8 6/20 0.34
▸ PCSK9 Q8NBP7 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ LMNA P02545 1/20 0.31

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
SCHEMBL12690881 0.86 ALDH1A1 (0.58) HCAR3HCAR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12690245 0.79 HCAR3 (0.40) HCAR3ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL12690425 0.76 HCAR3 (0.40) HCAR3KDM4E
SCHEMBL12763797 0.74 HCAR3 (0.46) HCAR3HCAR2ESR1ALDH1A1KDM4E
SCHEMBL12412536 0.74 HCAR3 (0.54) HCAR3HCAR2ESR1SMN1; SMN2HRH4
SCHEMBL19203405 0.73 KDM4E (0.41) HCAR3HCAR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30658431 0.73 KDM4E (0.41) HCAR3HCAR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19203407 0.73 KDM4E (0.41) HCAR3HCAR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12690256 0.72 HCAR3 (0.34) HCAR3
SCHEMBL12690364 0.72 HCAR3 (0.47) HCAR3ALDH1A1KDM4ELMNA

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 2 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

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 211/4885HCAR2 370/4885ESR1 2073/4885

“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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