SCHEMBL724604

SCHEMBL724604

CN[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.69
BACE1 P56817 13/20 0.69
BCHE P06276 12/20 0.69
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
MALT1 Q9UDY8 1/20 0.53

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
SCHEMBL242759 1.00 ACHE (0.69) ACHEBACE1BCHEDRD2DRD4
SCHEMBL242760 1.00 ACHE (0.69) ACHEBACE1BCHEDRD2DRD4
Bromide SCHEMBL2497824 0.98 ACHE (0.68) ACHEBACE1BCHEDRD2DRD4
SCHEMBL2734633 0.91 DRD2 (0.61) ACHEBACE1BCHEDRD2DRD4
SCHEMBL2730825 0.90 CYP1A2 (0.60) ACHEBACE1BCHE
SCHEMBL350928 0.90 CYP1A2 (0.60) ACHEBACE1BCHE
SCHEMBL6128786 0.90 CYP1A2 (0.60) ACHEBACE1BCHE
SCHEMBL360075 0.90 ACHE (0.68) ACHEBACE1BCHEDRD2DRD4
Hydrochloric Acid SCHEMBL5862090 0.88 ACHE (0.66) ACHEBACE1BCHEDRD2DRD4
Hydrochloric Acid SCHEMBL8055676 0.88 ACHE (0.66) ACHEBACE1BCHEDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718250-B Method for preparing R-citronellal 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-111718250-A Method for preparing R-citronellal 万华化学集团股份有限公司 2020-09-29 CN claimed
US-12378224-B2 Heteroaryl compounds and their use as Mer inhibitors DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-08-05 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
CN-111718250-B Method for preparing R-citronellal 万华化学集团股份有限公司 2022-04-22 CN disclosed
EP-3523292-B1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-15 EP disclosed
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 US disclosed
EP-3792256-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2021-03-17 EP disclosed
US-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2021-02-09 US disclosed
CN-111718250-A Method for preparing R-citronellal 万华化学集团股份有限公司 2020-09-29 CN disclosed
EP-3400221-B1 PYRAZOL / IMIDAZOL SUBSTITUTED PYRIDINES AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2020-08-26 EP 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
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO disclosed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO disclosed
US-20050080271-A1 Peptidomimetic ligands for cellular receptors and ion channels SEPRACOR INC. 2005-04-14 US disclosed
US-20050070589-A1 Pyrazolyl inhibitors of 15- lipoxygenase BRISTOL-MYERS SQUIBB COMPANY 2005-03-31 US disclosed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US disclosed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO disclosed
WO-2001070684-A2 PEPTIDOMIMETIC LIGANDS FOR CELLULAR RECEPTORS AND ION CHANNELS SEPRACOR, INC. (US) 2001-09-27 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 (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-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors MERTK, RET, ERBB4 ACHE 3462/4885BACE1 1032/4885BCHE 3611/4885
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R ACHE 2803/4885BACE1 4504/4885BCHE 1574/4885
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 ACHE 641/4885BACE1 3598/4885BCHE 2010/4885
US-12378224-B2 Heteroaryl compounds and their use as Mer inhibitors MERTK, RET, ERBB2 ACHE 3656/4885BACE1 1001/4885BCHE 3812/4885
US-20050070589-A1 Pyrazolyl inhibitors of 15- lipoxygenase ALOX15, ALOX5, ALOX15B ACHE 2188/4885BACE1 1377/4885BCHE 1537/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 ACHE 4531/4885BACE1 3907/4885BCHE 4372/4885
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB2 ACHE 3656/4885BACE1 1001/4885BCHE 3812/4885
US-20050080271-A1 Peptidomimetic ligands for cellular receptors and ion channels TRPV1, OPRL1, TRPV2 ACHE 772/4885BACE1 2133/4885BCHE 3486/4885

“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.