SCHEMBL688401

SCHEMBL688401

CCN(CC)C1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
HTR2A P28223 5/20 0.38
HTR2C P28335 5/20 0.38
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
HTR1A P08908 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NMT1 P30419 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ACKR3 P25106 1/20 0.33
CBX7 O95931 2/20 0.33
CDYL2 Q8N8U2 2/20 0.33
CDYL Q9Y232 2/20 0.33
CDY1; CDY1B Q9Y6F8 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL24700245 0.87 DRD3 (0.39)
SCHEMBL18820341 0.86 PGR (0.39) NCF1HTR2AHTR2CKMT2A
SCHEMBL18820340 0.86 PGR (0.39) NCF1HTR2AHTR2CKMT2A
SCHEMBL81626 0.86 PGR (0.39) NCF1HTR2AHTR2CKMT2A
SCHEMBL16122029 0.83 NCF1 (0.38) NCF1HTR2AHTR2CHTR1AKDM4E
SCHEMBL22813456 0.83 SLC6A2 (0.34) NCF1HTR2AHTR2CHTR1AKDM4E
SCHEMBL13619409 0.83 KMT2A (0.44) NCF1HTR2AHTR2CGNAI3GNAO1
SCHEMBL18469956 0.83 NCF1 (0.38) NCF1HTR2AHTR2CGNAI3GNAO1
SCHEMBL18469957 0.82 KDM4E (0.33) NCF1HTR2AHTR2CHTR1AKDM4E
SCHEMBL18469960 0.82 NOS3 (0.35) NCF1HTR2AHTR2CNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2323980-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) 2011-05-25 EP claimed
WO-2010026096-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) 2010-03-11 WO claimed
EP-3741756-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
EP-3842433-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
WO-2023173170-A1 USE OF 4-THIAZOL-N-(PYRIDIN-2-YL)PYRIMIDIN-2-AMINE DERIVATIVES IN COMBINATION THERAPIES FOR CANCER AUCENTRA THERAPEUTICS PTY LTD (AU) 2023-09-21 WO disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
WO-2023133217-A1 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-05-23 US disclosed
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-05-23 US disclosed
WO-2023288103-A1 METHODS FOR PREPARING LIPOSOMAL FORMULATIONS CELATOR PHARMACEUTICALS, INC. (US) 2023-01-19 WO disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-7326700-B2 Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2008-02-05 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 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 (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-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 NCF1 2347/4885HTR2A 271/4885HTR2C 178/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 NCF1 1866/4885HTR2A 103/4885HTR2C 180/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 NCF1 1444/4885HTR2A 159/4885HTR2C 199/4885
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor KRAS, NRAS, MSH2 NCF1 1970/4885HTR2A 4602/4885HTR2C 3671/4885

“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.