SCHEMBL3328962

SCHEMBL3328962

COc1ccc(C2CCCN2)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
CA2 P00918 3/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
PDCD1LG2 Q9BQ51 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL21491464 0.94 MEN1 (0.89) MEN1KMT2ACA2ALDH1A1NPC1
SCHEMBL31472389 0.94 MEN1 (0.89) MEN1KMT2ACA2ALDH1A1NPC1
SCHEMBL31518263 0.88 MEN1 (0.78) MEN1KMT2ACA2CA12CA1
SCHEMBL28905133 0.85 MEN1 (0.74) MEN1KMT2AALDH1A1PDCD1LG2CD274
SCHEMBL16610538 0.84 MEN1 (0.73) MEN1KMT2APDCD1LG2CD274HSD11B1
SCHEMBL28533008 0.83 MEN1 (0.71) MEN1KMT2APDCD1LG2CD274CDC7
SCHEMBL22040843 0.83 MEN1 (0.71) MEN1KMT2APDCD1LG2CD274CYP2D6
SCHEMBL23891964 0.82 MEN1 (0.69) MEN1KMT2APDCD1LG2CD274HSD11B1
SCHEMBL21516972 0.82 MEN1 (0.69) MEN1KMT2ACA2CA12CA1
SCHEMBL29456488 0.82 MEN1 (0.69) MEN1KMT2ACA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220087996-A1 Histone acetylase p300 inhibitor and use thereof HINOVA PHARMACEUTICALS INC. (CN) 2022-03-24 US disclosed
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
WO-2020108500-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF 成都海创药业有限公司 2020-06-04 WO disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (4 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-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases RORA, RORC, RORB MEN1 3718/4885KMT2A 2540/4885CA2 4243/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 MEN1 2319/4885KMT2A 1882/4885CA2 2792/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC MEN1 3331/4885KMT2A 2377/4885CA2 4715/4885
US-20220087996-A1 Histone acetylase p300 inhibitor and use thereof EP300, HDAC1, HDAC11 MEN1 1820/4885KMT2A 103/4885CA2 785/4885

“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.