SCHEMBL1006531

SCHEMBL1006531

CC(=O)NC1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
OPRK1 P41145 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 2/20 0.46
SLC6A1 P30531 2/20 0.44
SLC6A11 P48066 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A13 Q9NSD5 1/20 0.44
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.42
PBK Q96KB5 3/20 0.42
EPHX1 P07099 1/20 0.41
CHEK1 O14757 3/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 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
SCHEMBL1321300 1.00 MAPK1 (0.50) MAPK1OPRK1KDM4EALDH1A1ATM
SCHEMBL11949315 1.00 MAPK1 (0.50) MAPK1OPRK1KDM4EALDH1A1ATM
Hydrochloric Acid SCHEMBL30636640 0.98 MAPK1 (0.49) MAPK1OPRK1KDM4EALDH1A1ATM
Acetic Acid SCHEMBL9994796 0.96 MAPK1 (0.48) MAPK1OPRK1KDM4EALDH1A1ATM
SCHEMBL25040356 0.94 KDM4E (0.46) MAPK1OPRK1KDM4EALDH1A1ATM
SCHEMBL21431245 0.92 EPHX1 (0.47) MAPK1OPRK1KDM4EALDH1A1ATM
Trifluoroacetic Acid SCHEMBL23779162 0.88 MAPK1 (0.43) MAPK1OPRK1KDM4EALDH1A1ATM
Trifluoroacetic Acid SCHEMBL23779199 0.88 MAPK1 (0.43) MAPK1OPRK1KDM4EALDH1A1ATM
SCHEMBL39918 0.88
SCHEMBL39850 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US claimed
US-20130172562-A1 PROCESS FOR THE PREPARATION OF A SINGLE ENANTIOMER OF 3-AMINOPIPERIDINE DIHYDROCHLORIDE DR. REDDY'S LABORATORIES, INC. (US) 2013-07-04 US claimed
EP-2582671-A2 PROCESS FOR THE PREPARATION OF A SINGLE ENANTIOMER OF 3-AMINOPIPERIDINE DIHYDROCHLORIDE Dr. Reddy's Laboratories Ltd. (IN) 2013-04-24 EP claimed
WO-2011160037-A2 PROCESS FOR THE PREPARATION OF A SINGLE ENANTIOMER OF 3-AMINOPIPERIDINE DIHYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2011-12-22 WO claimed
JP-5112554-A None JP disclosed
CN-122036690-A Heteroaromatic ring compound, pharmaceutical composition and application thereof 马应龙药业集团股份有限公司 2026-05-15 CN disclosed
US-20250326732-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-10-23 US disclosed
US-20250017940-A1 SELECTIVE PEPTIDOMIMETIC MODULATORS OF CAV2.2 (N-TYPE) VOLTAGE-GATED CALCIUM CHANNELS AND USES THEREOF NEW YORK UNIVERSITY (US) 2025-01-16 US disclosed
WO-2024253416-A1 PYRIMIDINE/PYRIDINE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2024-12-12 WO disclosed
US-12116343-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-15 US disclosed
EP-4434980-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE Hangzhou HealZen Therapeutics Co., Ltd. (CN) 2024-09-25 EP disclosed
CN-116143757-B Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2024-07-05 CN disclosed
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome THERAVANCE, INC. (US) 2006-05-11 US disclosed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 US disclosed
US-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder THERAVANCE BIOPHARMA R&D IP, LLC 2005-09-08 US disclosed
WO-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 WO disclosed
EP-0342675-B1 Novel quinolonecarboxylic acid derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 1995-01-25 EP disclosed
JP-H05112554-A NEW QUINOLONECARBOXYLIC ACID DERIVATIVE CHUGAI PHARMACEUT CO LTD 1993-05-07 JP disclosed
US-5051509-A Antibiotics CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1991-09-24 US disclosed
EP-0342675-A2 Novel quinolonecarboxylic acid derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1989-11-23 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 (8 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-20250326732-A1 CHROMEN-2-ONE MODULATORS OF POLRMT POLRMT, TFAM, POLM MAPK1 2069/4885OPRK1 3192/4885KDM4E 2158/4885
US-12116343-B2 Inhibitors of APOL1 and methods of using same APOL1, APOB, NPC1L1 MAPK1 2302/4885OPRK1 2088/4885KDM4E 4664/4885
US-20130172562-A1 PROCESS FOR THE PREPARATION OF A SINGLE ENANTIOMER OF 3-AMINOPIPERIDINE DIHYDROCHLORIDE RAC3, RAC2, RAPGEF4 MAPK1 714/4885OPRK1 1220/4885KDM4E 1184/4885
US-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder HTR4, HTR5A, HTR3C MAPK1 1687/4885OPRK1 113/4885KDM4E 1798/4885
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome GIPR, GPR4, GPR119 MAPK1 1743/4885OPRK1 83/4885KDM4E 3939/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C MAPK1 3303/4885OPRK1 61/4885KDM4E 1306/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 MAPK1 442/4885OPRK1 109/4885KDM4E 2242/4885
US-20250017940-A1 SELECTIVE PEPTIDOMIMETIC MODULATORS OF CAV2.2 (N-TYPE) VOLTAGE-GATED CALCIUM CHANNELS AND USES THEREOF CACNA1B, CACNA1E, CACNA1D MAPK1 3305/4885OPRK1 166/4885KDM4E 3241/4885

“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.