SCHEMBL17153203

SCHEMBL17153203

COC(=O)c1cccc(N2CCCC2=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.45
▸ PARP1 P09874 2/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ OGA O60502 1/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41

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
SCHEMBL17144056 0.83 ALDH1A1 (0.52) PARP1MEN1KMT2AGAACYP1A2
SCHEMBL2711845 0.79 ALDH1A1 (0.43) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL14879861 0.79 HRH3 (0.58) CRBNHRH3IRAK4MEN1KMT2A
SCHEMBL20548134 0.77 HSD11B1 (0.59) CRBNHRH3IRAK4MEN1KMT2A
SCHEMBL2712767 0.77 ALDH1A1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL29677730 0.77 CRBN (0.40) CRBNHRH3PARP1IRAK4MEN1
SCHEMBL30643905 0.76 SMN1; SMN2 (0.39) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL26643208 0.76 SMN1; SMN2 (0.39) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL2712232 0.75 ADORA2A (0.39) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL20153301 0.75 RECQL (0.60) PARP1GAACYP1A2CYP3A4CYP2C9

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-20160376262-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 — — US disclosed
WO-2015150440-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 — — 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-20160376262-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CRBN 2746/4885HRH3 129/4885PARP1 357/4885

“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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