SCHEMBL8040461

SCHEMBL8040461

CCN(CC)CC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ALOX5 P09917 3/20 0.38
OPRM1 P35372 5/20 0.36
OPRD1 P41143 5/20 0.36
OPRK1 P41145 5/20 0.36
CYP2D6 P10635 1/20 0.35
ADRA1B P35368 1/20 0.34
ACHE P22303 1/20 0.34
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL20900599 0.97 CYP1A2 (0.42) CYP1A2ALOX5OPRM1OPRD1OPRK1
SCHEMBL16559079 0.97 CYP1A2 (0.42) CYP1A2ALOX5OPRM1OPRD1OPRK1
SCHEMBL12018411 0.97 CYP1A2 (0.42) CYP1A2ALOX5OPRM1OPRD1OPRK1
SCHEMBL9256109 0.94 OPRM1 (0.41) CYP1A2ALOX5OPRM1OPRD1OPRK1
SCHEMBL26714515 0.92 CYP1A2 (0.42) CYP1A2ALOX5OPRM1OPRD1OPRK1
SCHEMBL23482120 0.89 OPRM1 (0.41) CYP1A2ALOX5OPRM1OPRD1OPRK1
SCHEMBL14183042 0.88
SCHEMBL16577641 0.87 CYP1A2 (0.39) CYP1A2ALOX5OPRM1OPRD1OPRK1
SCHEMBL18602491 0.86 OPRM1 (0.39) CYP1A2ALOX5OPRM1OPRD1OPRK1
SCHEMBL16577647 0.85 CYP1A2 (0.38) CYP1A2ALOX5OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000078826-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-12-28 WO claimed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
WO-2018045084-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. (US) 2018-03-08 WO disclosed
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2710005-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2016-10-05 EP disclosed
US-20150353562-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20140309223-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-16 US disclosed
US-20140303161-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. 2014-10-09 US disclosed
US-20140303190-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-09 US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 US disclosed
US-8673925-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-03-18 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
WO-2000078826-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-12-28 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 (7 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-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK CYP1A2 3432/4885ALOX5 2104/4885OPRM1 3011/4885
US-20140303161-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK CYP1A2 3432/4885ALOX5 2104/4885OPRM1 3011/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK CYP1A2 3432/4885ALOX5 2104/4885OPRM1 3011/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK CYP1A2 3432/4885ALOX5 2104/4885OPRM1 3011/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 CYP1A2 1052/4885ALOX5 600/4885OPRM1 1084/4885
US-20140309223-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK CYP1A2 3432/4885ALOX5 2104/4885OPRM1 3011/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 CYP1A2 398/4885ALOX5 1363/4885OPRM1 192/4885

“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.