SCHEMBL8327

SCHEMBL8327

c1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.77
HRH3 Q9Y5N1 3/20 0.77
HRH4 Q9H3N8 1/20 0.68
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 1/20 0.65
MC4R P32245 1/20 0.63
DRD4 P21917 1/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
SLC6A3 Q01959 1/20 0.59

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
SCHEMBL26532 1.00 SIGMAR1 (0.77) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL688047 1.00 SIGMAR1 (0.77) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL11585348 1.00 SIGMAR1 (0.77) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL11141692 1.00 SIGMAR1 (0.77) SIGMAR1HRH3HRH4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7409551 0.98 SIGMAR1 (0.74) SIGMAR1HRH3HRH4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4774633 0.98 SIGMAR1 (0.74) SIGMAR1HRH3HRH4CYP2D6CYP2C19
Bromide SCHEMBL10730905 0.98 SIGMAR1 (0.74) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL13952 0.98 SIGMAR1 (0.81) SIGMAR1HRH3HRH4CYP2D6CYP2C19
SCHEMBL1777747 0.98 SIGMAR1 (0.81) SIGMAR1HRH3HRH4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5923800 0.96 SIGMAR1 (0.71) SIGMAR1HRH3HRH4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55162746-A None JP disclosed
CN-118695874-A Cancer therapy with TLR7/8 agonists 阿森迪斯药物肿瘤股份有限公司 2024-09-24 CN disclosed
CN-114944459-B Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-07-02 CN disclosed
WO-2024124279-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CERTA THERAPEUTICS PTY LTD (AU) 2024-06-20 WO disclosed
WO-2024124287-A1 COMPOUNDS FOR TREATING VIRAL INFECTION THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2024-06-20 WO disclosed
US-20240173696-A1 FUNCTIONALISED HYDROGELS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2024-05-30 US disclosed
US-20240166643-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2024-05-23 US disclosed
US-20240132511-A1 TREATMENTS OF PRADER-WILLI SYNDROME NEUREN PHARMACEUTICALS LIMITED (NZ) 2024-04-25 US disclosed
CN-117903188-A Heterocyclic compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-04-19 CN disclosed
WO-2024073794-A1 SUBJECT SELECTION FOR 11β-HSD1 INHIBITOR TREATMENT Actinogen Medical Limited (AU) 2024-04-11 WO disclosed
EP-0924227-B1 Conjugated diolefin-based copolymer rubber and composition thereof JSR CORP (JP) 2004-03-10 EP disclosed
US-20030125448-A1 A butadiene-styrene copolymer having end terminals modified with a tin compound and amino compound; molecular weight distribution, tire rolling resistance, hysteresis-free, wear resistance GOODYEAR TIRE & RUBBER COMPANY, THE 2003-07-03 US disclosed
EP-1318172-A1 Pneumatic tire having a rubber component containing a tin/amino functionalized rubber and an inversion carbon black THE GOODYEAR TIRE & RUBBER COMPANY (US) 2003-06-11 EP disclosed
US-6353099-B1 USED FOR PREVENTION OR TREATMENT OF DISEASES, DISORDERS, CONDITIONS OR SYMPTOMS MEDIATED BY CELL ADHESION IN MAMMAL MERCK & CO., INC. 2002-03-05 US disclosed
WO-2001014328-A2 SUBSTITUTED UREAS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-03-01 WO disclosed
US-6191234-B1 CONJUGATED DIENE-AROMATIC VINYL COPOLYMER OBTAINED BY MODIFYING POLYMER WITH A AMINO GROUP IS USED TO IMPROVE WET SKID RESISTANCE, WEAR RESISTANCE OF AUTOMOBILE TIRE TREAD JSR CORPORATION (JP) 2001-02-20 US disclosed
EP-0924227-A1 Conjugated diolefin-based copolymer rubber and composition thereof JSR Corporation (JP) 1999-06-23 EP disclosed
US-4396698-A CROSSLINKED CATIONIC ADDITION COPOLYMERS AND HYDROPHOBIC PHENOLIC-TYPE COMPOUNDS; LIGHT SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1983-08-02 US disclosed
US-4390712-A Aqueous solution of cationic organosilicon compounds and process for the production of the solutions DEGUSSA AG (DE) 1983-06-28 US disclosed
JP-S55162746-A PREPARATION OF AMINE DERIVATIVE GRELAN PHARMACEUT CO LTD 1980-12-18 JP 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 (2 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-20240132511-A1 TREATMENTS OF PRADER-WILLI SYNDROME COMT, HSD17B3, HSD3B1 SIGMAR1 2787/4885HRH3 2352/4885HRH4 1982/4885
US-20240166643-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND THEIR USE IN THERAPY ABL1, TPMT, IDH2 SIGMAR1 648/4885HRH3 586/4885HRH4 383/4885

“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.