SCHEMBL1306880

SCHEMBL1306880

NC1CCN(C2CCCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
OPRM1 P35372 4/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
OGFRL1 Q5TC84 3/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
OPRL1 P41146 1/20 0.34

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
Hydrochloric Acid SCHEMBL4227117 0.98 DPP4 (0.46) DPP4KDM1AMAOAMAOBOPRM1
SCHEMBL17455848 0.98 DPP4 (0.44) DPP4KDM1AMAOAMAOBOPRM1
SCHEMBL2874112 0.98 DPP4 (0.44) DPP4KDM1AMAOAMAOBOPRM1
SCHEMBL2874108 0.98 DPP4 (0.44) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL3097237 0.95 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL16055400 0.95 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL16054227 0.95 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL16054225 0.95 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL3097228 0.95 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
SCHEMBL2552594 0.93 KDM1A (0.41) DPP4KDM1AMAOAMAOBOPRM1

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
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 US disclosed
US-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2021-02-09 US disclosed
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A ST CO., LTD. (KR) 2019-10-17 US disclosed
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 US disclosed
EP-1945606-A1 ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2008-07-23 EP disclosed
WO-2007052938-A1 ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-05-10 WO disclosed
US-4323503-A PSYCHOFUNCTION PROPERTIES SUCH AS ANXIOLYTIC OR PSYCHOSTIMULANT SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1982-04-06 US disclosed
US-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US disclosed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US disclosed
US-4087428-A ANTIEMETICS A. H. ROBINS COMPANY, INC. (US) 1978-05-02 US disclosed
US-4073796-A ANTIEMETIC A. H. ROBINS COMPANY, INC. (US) 1978-02-14 US disclosed
US-4041032-A ANTIEMATICS, GASTRIC MOTILITY STIMULANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-08-09 US disclosed
US-4039678-A N-(SUBSTITUTED-3-PYRROLIDINYL)-1-NAPHTHALENE CARBOXAMIDES A. H. ROBINS COMPANY, INCORPORATED (US) 1977-08-02 US disclosed
US-4005208-A GASTRIC JUICE, ANTISECRETORY SMITHKLINE CORPORATION (US) 1977-01-25 US disclosed
US-4002757-A ANTIEMETIC AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-01-11 US disclosed
US-3966957-A Method for controlling emesis with N-(1-substituted-3-pyrrolidinyl)benzamides and thiobenzamides A. H. ROBINS COMPANY, INCORPORATED (US) 1976-06-29 US disclosed
US-3963745-A Method for controlling emesis with N-(1-substituted-3-pyrrolidinyl)benzamides and thiobenzamides A. H. ROBINS COMPANY, INCORPORATED (US) 1976-06-15 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-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors MERTK, RET, ERBB4 DPP4 1742/4885KDM1A 3238/4885MAOA 2857/4885
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 DPP4 1361/4885KDM1A 76/4885MAOA 2403/4885
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB4 DPP4 1742/4885KDM1A 3238/4885MAOA 2857/4885
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB2 DPP4 2136/4885KDM1A 2923/4885MAOA 2741/4885

“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.