SCHEMBL684126

SCHEMBL684126

CCN1CC[C@H](N(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
KDM1A O60341 1/20 0.39
LTA4H P09960 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 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
SCHEMBL734698 1.00 HRH3 (0.41) HRH3HRH2HRH1KDM1ALTA4H
SCHEMBL8434577 1.00 HRH3 (0.41) HRH3HRH2HRH1KDM1ALTA4H
SCHEMBL255944 0.87 SIGMAR1 (0.36) HRH3HRH2HRH1
SCHEMBL12568633 0.87 SIGMAR1 (0.36) HRH3HRH2HRH1
SCHEMBL684682 0.86 SMN1; SMN2 (0.43) HRH3HRH2HRH1SMN1; SMN2NOS3
SCHEMBL10198692 0.83 KDM1A (0.43) HRH3HRH2HRH1KDM1A
SCHEMBL12309781 0.83 NOS3 (0.36) HRH3HRH2HRH1SMN1; SMN2NOS3
SCHEMBL12155274 0.83 KDM1A (0.43) HRH3HRH2HRH1KDM1A
SCHEMBL13462578 0.83 KDM1A (0.43) HRH3HRH2HRH1KDM1A
SCHEMBL10198502 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179617-A1 TRICYCLIC COMPOUNDS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2021-06-17 US disclosed
WO-2021013028-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-01-28 WO disclosed
US-10221161-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-03-05 US disclosed
EP-2755976-B1 6-SUBSTITUTED 3-(QUINOLIN-6-YLTHIO)-[1,2,4]TRIAZOLO[4,3-A]PYRIDINES AS C-MET TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2018-07-18 EP disclosed
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-03 US disclosed
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-27 US disclosed
US-9290507-B2 B-RAF kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
WO-2015195228-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2015-12-23 WO disclosed
WO-2015089479-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 WO disclosed
EP-2552907-B1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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 (11 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M HRH3 96/4885HRH2 212/4885HRH1 77/4885
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases MAPKAPK2, MAPKAPK5, MAPK7 HRH3 508/4885HRH2 149/4885HRH1 243/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR HRH3 299/4885HRH2 319/4885HRH1 309/4885
US-10221161-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 HRH3 294/4885HRH2 333/4885HRH1 576/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 HRH3 2627/4885HRH2 2853/4885HRH1 2013/4885
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 HRH3 2745/4885HRH2 4008/4885HRH1 3359/4885
US-20210179617-A1 TRICYCLIC COMPOUNDS BRD4, BET1, BRD3 HRH3 864/4885HRH2 2332/4885HRH1 1456/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 HRH3 1/4885HRH2 3/4885HRH1 5/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HRH3 669/4885HRH2 2368/4885HRH1 1783/4885
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 HRH3 2326/4885HRH2 3258/4885HRH1 2522/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 HRH3 1213/4885HRH2 1583/4885HRH1 1902/4885

“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.