SCHEMBL5118750

SCHEMBL5118750

CCOC(=O)c1cc(N)cn1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
LMNA P02545 2/20 0.44
MAOA P21397 1/20 0.44
TSHR P16473 3/20 0.41
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCB11 O95342 1/20 0.40
GABRA2 P47869 1/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 3/20 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
SCHEMBL5120329 0.82 GABRA1 (0.60) CYP1A2CYP3A4LMNATSHRGABRA1
SCHEMBL25610740 0.81 CA12 (0.41) ADORA3ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL21776588 0.79 BAZ2B (0.43) CYP1A2CYP3A4LMNATSHRGABRA1
SCHEMBL5121029 0.79 RAB9A (0.49) CYP1A2CYP3A4LMNAMAOANPC1
Hydrochloric Acid SCHEMBL21776577 0.78 BAZ2B (0.43) CYP1A2CYP3A4LMNATSHRGABRA1
SCHEMBL1417324 0.78 LMNA (0.46) CYP1A2CYP3A4LMNAMAOATSHR
SCHEMBL1842078 0.77 NPC1 (0.47) GABRB2GABRA2NPC1ALDH1A1SMN1; SMN2
SCHEMBL5037168 0.74 LMNA (0.42) CYP1A2CYP3A4LMNAMAOANPC1
SCHEMBL12438310 0.72 LMNA (0.41) ADORA3ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL25033914 0.71 ADORA3 (0.43) ADORA3ADORA2AADORA1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255162-A1 Pyrrolyl Substituted Pyrido[2,3-D]Pyrimidin-7-Ones and Derivatives Thereof as Therapeutic Agents WARNER-LAMBERT COMPANY LLC 2008-10-16 US disclosed
EP-1749004-B1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-09-19 EP disclosed
EP-1749004-A1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2007-02-07 EP disclosed
WO-2005105801-A1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 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 (3 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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN ADORA3 4040/4885ADORA2A 4469/4885ADORA1 4113/4885
US-20080255162-A1 Pyrrolyl Substituted Pyrido[2,3-D]Pyrimidin-7-Ones and Derivatives Thereof as Therapeutic Agents TYMS, DPYD, TYMP ADORA3 85/4885ADORA2A 412/4885ADORA1 72/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 ADORA3 891/4885ADORA2A 1113/4885ADORA1 324/4885

“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.