SCHEMBL1937694

SCHEMBL1937694

CC(C)(C)N(C(=O)O)C1CCC(Nc2ccc(C(N)=O)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.54
▸ NNMT P40261 1/20 0.47
▸ CCR6 P51684 2/20 0.45
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PRKAG3 Q9UGI9 1/20 0.43
▸ PRKAG2 Q9UGJ0 1/20 0.43
▸ PRKAB1 Q9Y478 1/20 0.43
▸ SYK P43405 1/20 0.39
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL1937691 1.00 HCAR3 (0.54) HCAR3NNMTCCR6PRKAB2PRKAG1
SCHEMBL15204853 0.84 HCAR3 (0.48) HCAR3CCR6PRKAB2PRKAG1PRKAA2
SCHEMBL15204516 0.84 HCAR3 (0.48) HCAR3CCR6PRKAB2PRKAG1PRKAA2
SCHEMBL15204517 0.84 HCAR3 (0.48) HCAR3CCR6PRKAB2PRKAG1PRKAA2
SCHEMBL1937510 0.84 HCAR3 (0.42) HCAR3CCR6SYK
SCHEMBL1937508 0.84 HCAR3 (0.42) HCAR3CCR6SYK
SCHEMBL1937016 0.81 IRAK4 (0.40) HCAR3SYK
SCHEMBL1937018 0.81 IRAK4 (0.40) HCAR3SYK
SCHEMBL2177541 0.81 CCNK (0.55) CCR6
SCHEMBL2177547 0.81 CCNK (0.55) CCR6

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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 — — US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 — — EP disclosed
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 — — WO 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 HCAR3 195/4885NNMT 65/4885CCR6 3938/4885

“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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