SCHEMBL302803

SCHEMBL302803

O=CNCCC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 0.61
ADH1A P07327 5/20 0.61
ADH1C P00326 4/20 0.61
ADH7 P40394 4/20 0.61
ADH4 P08319 2/20 0.61
SIGMAR1 Q99720 4/20 0.45
EPHX1 P07099 2/20 0.44
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.36
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL5646910 1.00 ADH1B (0.61) ADH1BADH1AADH1CADH7ADH4
SCHEMBL5649841 0.98 ADH1B (0.58) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3020274 0.93
SCHEMBL1899269 0.88
SCHEMBL304406 0.87 ADH1B (0.57) ADH1BADH1AADH1CADH7ADH4
SCHEMBL303075 0.87 ADH1B (0.57) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8861073 0.85 SIGMAR1 (0.60) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8952319 0.85 SIGMAR1 (0.60) ADH1BADH1AADH1CADH7ADH4
SCHEMBL22104300 0.84 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3024930 0.84 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP claimed
US-9233964-B2 Sulfamide piperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use therof LEO PHARMA A/S (DK) 2016-01-12 US claimed
US-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-12-26 US claimed
EP-2661436-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-11-13 EP claimed
WO-2012093169-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-07-12 WO claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed
CN-111491923-B N- (2-cyclohexylethyl) carboxamide derivatives, preparation and pharmaceutical use thereof 上海海雁医药科技有限公司 2023-06-16 CN disclosed
CN-111491923-B N- (2-cyclohexylethyl) carboxamide derivatives, preparation and pharmaceutical use thereof 上海海雁医药科技有限公司 2023-06-16 CN disclosed
CN-111491923-B N- (2-cyclohexylethyl) carboxamide derivatives, preparation and pharmaceutical use thereof 上海海雁医药科技有限公司 2023-06-16 CN disclosed
WO-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 WO disclosed
CN-111491923-A N- (2-cyclohexylethyl) formamide derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-08-04 CN disclosed
CN-111491923-A N- (2-cyclohexylethyl) formamide derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-08-04 CN disclosed
CN-111491923-A N- (2-cyclohexylethyl) formamide derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-08-04 CN disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed
EP-0981958-A1 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-03-01 EP disclosed
US-5506239-A Carbostyril derivative and platelets aggregation inhibitory agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
EP-0171217-B1 FUSED-RING HETEROCYCLIC COMPOUNDS A PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SANKYO COMPANY LIMITED (JP) 1989-05-03 EP disclosed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 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-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS JAK1, CNKSR1, TSHR ADH1B 921/4885ADH1A 1164/4885ADH1C 1123/4885

“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.