SCHEMBL104444

SCHEMBL104444

CC(C)CCC1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.37
HRH3 Q9Y5N1 2/20 0.35
SLC6A2 P23975 8/20 0.35
SLC6A4 P31645 8/20 0.35
SLC6A3 Q01959 4/20 0.34
GBA1 P04062 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
F2R P25116 2/20 0.33
GNAI3 P08754 2/20 0.33
GNAI1 P63096 2/20 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
Hydrochloric Acid SCHEMBL30006594 0.98 GNAO1 (0.40) GNAO1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL12308362 0.86 GNAO1 (0.39) GNAO1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL12784741 0.86 SLC6A1 (0.41) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL1691629 0.86 SLC6A1 (0.41) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL4409084 0.86 SLC6A1 (0.41) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL23945815 0.85 GNAO1 (0.38) GNAO1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL22578632 0.83 SIGMAR1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL25293912 0.83 SIGMAR1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL465186 0.83 SIGMAR1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL1678779 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103167800-A Ready-to-use ketorolac injection RTU PHARMACEUTICALS LLC 2013-06-19 CN claimed
JP-2011524396-A 2011-09-01 JP claimed
CN-102066320-A Aryl ketone as MRI HOFFMANN LA ROCHE 2011-05-18 CN claimed
EP-2297096-A2 ARYL KETONE AS MRI F. Hoffmann-La Roche AG (CH) 2011-03-23 EP claimed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US claimed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO claimed
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2025-04-10 US disclosed
US-12024484-B2 Lipid formulations for gene editing VERVE THERAPEUTICS, INC. (US) 2024-07-02 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12012393-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2024-06-18 US disclosed
EP-3724178-B1 1-(PIPERIDINOCARBONYLMETHYL)-2-OXOPIPERAZINE DERIVATIVES FOR TREATING CANCER Inthera Bioscience AG (CH) 2024-05-01 EP disclosed
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-31 US disclosed
WO-2023205507-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-10-26 WO disclosed
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
CN-1439002-A Muscarinic agonists ACADIA PHARM INC (US) 2003-08-27 CN disclosed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO disclosed
EP-0604494-A1 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-06 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 (7 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-12024484-B2 Lipid formulations for gene editing LIPA, LIPC, ABHD16A GNAO1 3919/4885HRH3 4530/4885SLC6A2 2907/4885
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 GNAO1 927/4885HRH3 862/4885SLC6A2 812/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK GNAO1 537/4885HRH3 3745/4885SLC6A2 4418/4885
US-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 GNAO1 303/4885HRH3 42/4885SLC6A2 683/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C GNAO1 921/4885HRH3 501/4885SLC6A2 71/4885
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof BAZ2A, BRD3, BRPF3 GNAO1 2309/4885HRH3 331/4885SLC6A2 4724/4885
US-12012393-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 GNAO1 927/4885HRH3 862/4885SLC6A2 812/4885

“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.