SCHEMBL768929

SCHEMBL768929

Cc1cncc(OBOc2cncc(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP2A6 P11509 3/20 0.33
CYP3A4 P08684 1/20 0.31
PPARG P37231 1/20 0.31
GCK P35557 2/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
VEGFA P15692 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
SCHEMBL1863295 0.77 CYP1A1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CYP3A4
SCHEMBL29465753 0.76
SCHEMBL91463 0.76
SCHEMBL875081 0.73 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL1865390 0.73 HCAR2 (0.38) HCAR2CYP3A4VEGFA
SCHEMBL28487252 0.73 ATM (0.38) ATMCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1866648 0.72 CYP11B1 (0.33)
SCHEMBL2215868 0.72 CHRNB2 (0.43) CHRNB2CHRNA4GCK
SCHEMBL2214269 0.72 CYP11B1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL364636 0.72 ALDH1A1 (0.44) CYP3A4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120091815-A T-type voltage-gated calcium channel enhancer 广泛研究所股份有限公司 2025-06-03 CN disclosed
CN-118515663-A Imidazopyridine or imidazopyrazine compounds, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-08-20 CN disclosed
CN-117279896-A Amino substituted pyrido ring compounds, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-12-22 CN disclosed
CN-116848107-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2023-10-03 CN disclosed
CN-116685583-A Pyrimidine compounds, compositions and pharmaceutical uses thereof 缆图药品公司 2023-09-01 CN disclosed
CN-116490503-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-07-25 CN disclosed
CN-112585128-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 CN disclosed
CN-115531387-A Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-12-30 CN disclosed
CN-110234637-B Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-11-01 CN disclosed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 CN disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
EP-2493877-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20110178065-A1 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 US disclosed
WO-2011088160-A2 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 WO disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 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 (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-20110178065-A1 NOVEL CYP17 INHIBITORS CYP17A1, CYP21A2, HSD17B1 ATM 2990/4885CHRNB1 2251/4885CHRNB2 3446/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 ATM 4741/4885CHRNB1 281/4885CHRNB2 757/4885
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 ATM 3381/4885CHRNB1 199/4885CHRNB2 334/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 ATM 3381/4885CHRNB1 199/4885CHRNB2 334/4885

“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.