SCHEMBL29638864

SCHEMBL29638864

CC1(C)CCCN(CCCCOc2ccc(C3CCN(C(=O)c4ccc(CCC(=O)O)c5ccccc45)CC3)cc2)C1

nearest known ligand 0.95

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.95
HRH1 P35367 1/20 0.95
S1PR1 P21453 1/20 0.47
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.42
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL991736 0.98 HRH3 (1.00) HRH3HRH1S1PR1MAOBMAOA
SCHEMBL2283302 0.90 HRH3 (0.86) HRH3HRH1S1PR1MAOBMAOA
SCHEMBL3158896 0.90 HRH3 (0.85) HRH3HRH1S1PR1MAOBMAOA
SCHEMBL12410095 0.83 HRH3 (0.74) HRH3HRH1S1PR1MAOBMAOA
SCHEMBL12376850 0.82 HRH3 (0.73) HRH3HRH1MAOBMAOAKCNH2
SCHEMBL4920804 0.82 HRH3 (0.72) HRH3HRH1S1PR1MAOBKCNH2
SCHEMBL2284285 0.73 HRH3 (0.60) HRH3HRH1S1PR1MAOBKCNH2
SCHEMBL7809741 0.72 HRH1 (0.56) HRH3HRH1S1PR1
SCHEMBL7814084 0.72 HRH1 (0.56) HRH3HRH1S1PR1
SCHEMBL12376853 0.70 MAOB (0.58) HRH3HRH1MAOBKCNH2CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673146-A2 METHODS FOR TREATING OBSESSIVE COMPULSIVE RELATED DISORDERS, TIC DISORDERS AND GLUTAMATE EXCITOTOXICITY RELATED DISORDERS Biohaven Therapeutics Ltd. (VG) 2026-01-07 EP claimed
WO-2024182465-A2 METHODS FOR TREATING OBSESSIVE COMPULSIVE RELATED DISORDERS, TIC DISORDERS AND GLUTAMATE EXCITOTOXICITY RELATED DISORDERS ALCO THERAPEUTICS, LLC (US) 2024-09-06 WO claimed
EP-4251148-A1 HISTAMINE H3 RECEPTOR ANTAGONISTS/INVERSE AGONISTS FOR THE TREATMENT OF AUTISM SPECTRUM DISORDER Richter Gedeon Nyrt. (HU) 2023-10-04 EP claimed
WO-2022113008-A1 HISTAMINE H3 RECEPTOR ANTAGONISTS/INVERSE AGONISTS FOR THE TREATMENT OF AUTISM SPECTRUM DISORDER RICHTER GEDEON NYRT. (HU) 2022-06-02 WO claimed
EP-4673146-A2 METHODS FOR TREATING OBSESSIVE COMPULSIVE RELATED DISORDERS, TIC DISORDERS AND GLUTAMATE EXCITOTOXICITY RELATED DISORDERS Biohaven Therapeutics Ltd. (VG) 2026-01-07 EP disclosed
WO-2024182465-A2 METHODS FOR TREATING OBSESSIVE COMPULSIVE RELATED DISORDERS, TIC DISORDERS AND GLUTAMATE EXCITOTOXICITY RELATED DISORDERS ALCO THERAPEUTICS, LLC (US) 2024-09-06 WO disclosed
EP-4251148-A1 HISTAMINE H3 RECEPTOR ANTAGONISTS/INVERSE AGONISTS FOR THE TREATMENT OF AUTISM SPECTRUM DISORDER Richter Gedeon Nyrt. (HU) 2023-10-04 EP disclosed
CN-109890817-B 8- (azetidin-1-yl) - [1,2,4] triazolo [1,5-a ] pyridinyl compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2022-06-17 CN disclosed
WO-2022113008-A1 HISTAMINE H3 RECEPTOR ANTAGONISTS/INVERSE AGONISTS FOR THE TREATMENT OF AUTISM SPECTRUM DISORDER RICHTER GEDEON NYRT. (HU) 2022-06-02 WO disclosed