SCHEMBL12690245

SCHEMBL12690245

CCNc1cnc(C(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.40
▸ ADRA2A P08913 2/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIP5K1C O60331 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ LMNA P02545 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
SCHEMBL12518240 0.82 HCAR3 (0.50) HCAR3ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL12690242 0.79 HCAR3 (0.44) HCAR3ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL12690355 0.77 VNN1 (0.32) —
SCHEMBL12690256 0.77 HCAR3 (0.34) HCAR3
SCHEMBL12690881 0.77 ALDH1A1 (0.58) HCAR3ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL12690364 0.77 HCAR3 (0.47) HCAR3ALDH1A1KDM4ELMNA
SCHEMBL824021 0.75 TSHR (0.32) —
SCHEMBL16310829 0.74 HCAR3 (0.44) HCAR3ADRA2AADRA2BADRA2CKDM4E
SCHEMBL2629264 0.72 HCAR3 (0.43) HCAR3ADRA2AADRA2BADRA2CPIK3CD
SCHEMBL12690425 0.72 HCAR3 (0.40) HCAR3KDM4E

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 211/4885ADRA2A 1085/4885ADRA2B 583/4885

“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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