SCHEMBL427397

SCHEMBL427397

CN1CCC(COc2cc(C#N)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
VNN1 O95497 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MET P08581 2/20 0.42
MGLL Q99685 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CXCR1 P25024 1/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
NQO2 P16083 1/20 0.41
CYP2D6 P10635 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL447842 0.88 CTSS (0.48) VNN1HRH3MGLLCYP11B1CYP11B2
SCHEMBL22637601 0.87 SLC6A2 (0.46) SIGMAR1MGLLHCRTR1HCRTR2CYP2D6
SCHEMBL1626586 0.86 HRH4 (0.43) SIGMAR1VNN1HRH3MGLLCYP11B1
SCHEMBL450089 0.82 HRH3 (0.57) HRH3HCRTR1HCRTR2
SCHEMBL427054 0.82 HRH3 (0.44) HRH3CXCR1HCRTR1HCRTR2MAOA
SCHEMBL24493353 0.81 HCRTR2 (0.38) MGLLCYP11B1CYP11B2HCRTR1HCRTR2
SCHEMBL4937792 0.81 XDH (0.41) VNN1MGLLCYP2D6DPP4DPP8
SCHEMBL29650087 0.80 HSD11B1 (0.53) SIGMAR1HRH3
SCHEMBL24493078 0.80 HSD11B1 (0.53) SIGMAR1HRH3
SCHEMBL29650137 0.79 GPR119 (0.52) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630404-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2025-10-15 EP disclosed
WO-2024121048-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 WO disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC SIGMAR1 1627/4885VNN1 1373/4885HRH3 403/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO SIGMAR1 2111/4885VNN1 1132/4885HRH3 485/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SIGMAR1 1841/4885VNN1 1287/4885HRH3 452/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SIGMAR1 2397/4885VNN1 516/4885HRH3 496/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SIGMAR1 1803/4885VNN1 1930/4885HRH3 191/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SIGMAR1 2397/4885VNN1 516/4885HRH3 496/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SIGMAR1 1803/4885VNN1 1930/4885HRH3 191/4885

“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.