SCHEMBL2936626

SCHEMBL2936626

Clc1ccc(NC2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.61
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 3/20 0.56
EPHX1 P07099 2/20 0.56
NPC1 O15118 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
APAF1 O14727 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL18855421 0.98 POLB (0.63) POLBALDH1A1SMN1; SMN2RAB9AEPHX1
SCHEMBL11808670 0.89 POLB (0.68) POLBALDH1A1SMN1; SMN2RAB9AEPHX1
SCHEMBL668906 0.89 POLB (0.68) POLBALDH1A1SMN1; SMN2RAB9AEPHX1
SCHEMBL3400048 0.89 MAPT (0.61) POLBALDH1A1SMN1; SMN2RAB9AEPHX1
SCHEMBL11526941 0.89 MAPT (0.61) POLBALDH1A1SMN1; SMN2RAB9AEPHX1
SCHEMBL78145 0.89 MAPT (0.61) POLBALDH1A1SMN1; SMN2RAB9AEPHX1
Hydrochloric Acid SCHEMBL1919158 0.86 POLB (0.66) POLBALDH1A1SMN1; SMN2RAB9AEPHX1
SCHEMBL11526739 0.86 MAPT (0.63) POLBALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL20677078 0.83 POLB (0.61) POLBALDH1A1SMN1; SMN2RAB9AEPHX1
SCHEMBL9934529 0.82 MAPT (0.55) POLBALDH1A1SMN1; SMN2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US claimed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
CN-103833561-B The N-arylation method of alkane amine HENGYANG NORMAL UNIVERSITY (CN) 2016-01-13 CN disclosed
CN-103833561-A Method for N-arylation of alkane amine UNIV HENGYANG NORMAL 2014-06-04 CN disclosed
EP-1966225-B1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG CHEMICAL LTD (KR) 2013-12-25 EP disclosed
EP-1966223-B1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEMICAL LTD (KR) 2013-08-14 EP disclosed
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US disclosed
CN-101402537-B Uses of 2-pyridine-beta ketone compounds GUANGZHOU INST BIOMED & HEALTH 2011-04-27 CN disclosed
US-7807762-B2 Catalyst composition comprising Group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEM, LTD. (KR) 2010-10-05 US disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
CN-101115715-A Pyrrolidine derivatives for the treatment of diseases associated with renin activity NOVARTIS AG (CH) 2008-01-30 CN disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2007078134-A1 TRANSITION METAL COMPLEXES AND PREPARATION METHODS THEREOF LG CHEM. LTD. (KR) 2007-07-12 WO disclosed
WO-2007078133-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEM. LTD. (KR) 2007-07-12 WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
US-3933908-A INSECTICIDE U.S. PHILIPS CORPORATION (US) 1976-01-20 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 (2 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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 POLB 2428/4885ALDH1A1 1225/4885SMN1; SMN2 2016/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 POLB 870/4885ALDH1A1 2299/4885SMN1; SMN2 2019/4885

“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.