SCHEMBL12075969

SCHEMBL12075969

NC(=O)Oc1cccc(N2CC3(CCO3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TYK2 P29597 2/20 0.36
▸ FFAR1 O14842 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP3A4 P08684 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ JAK1 P23458 3/20 0.30
▸ JAK2 O60674 2/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ PDCD1LG2 Q9BQ51 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL12654062 0.75 GRIN2D (0.44) SLC6A2SLC6A4SLC6A3TYK2FFAR1
SCHEMBL12075897 0.73 TYK2 (0.44) TYK2
SCHEMBL12958833 0.72 HTR3E (0.50) TYK2ALDH1A1KMT2A
SCHEMBL10768300 0.70 MEN1 (0.52) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL21227382 0.69 TYK2 (0.46) SLC6A2SLC6A4SLC6A3TYK2FFAR1
SCHEMBL16834405 0.66 GAA (0.50) ALDH1A1HSD17B10TSHRHPGDHIF1A
SCHEMBL20697004 0.66 TYK2 (0.41) TYK2FFAR1PDCD1LG2CD274ACACB
SCHEMBL20557225 0.64 MEN1 (0.45) MEN1KMT2ABACE1
SCHEMBL28848711 0.63 MEN1 (0.38) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL21115271 0.63 MEN1 (0.44) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 — — EP 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SLC6A2 4563/4885SLC6A4 4577/4885SLC6A3 4567/4885

“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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