SCHEMBL113897

SCHEMBL113897

c1ccc(CCCCN2CCCCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.96
LTA4H P09960 1/20 0.74
HRH3 Q9Y5N1 1/20 0.73
SLC6A3 Q01959 1/20 0.71
CCR3 P51677 2/20 0.71
GRIN2B Q13224 2/20 0.71
HRH1 P35367 1/20 0.69
MEN1 O00255 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
TSHR P16473 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63

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
SCHEMBL10601122 1.00 SIGMAR1 (0.96) SIGMAR1LTA4HHRH3SLC6A3CCR3
SCHEMBL492561 0.98 SIGMAR1 (1.00) SIGMAR1LTA4HHRH3SLC6A3CCR3
SCHEMBL8091557 0.98 SIGMAR1 (1.00) SIGMAR1LTA4HHRH3SLC6A3CCR3
SCHEMBL8935099 0.98 SIGMAR1 (0.96) SIGMAR1LTA4HHRH3SLC6A3CCR3
Hydrochloric Acid SCHEMBL11555128 0.96 SIGMAR1 (0.96) SIGMAR1LTA4HHRH3SLC6A3CCR3
SCHEMBL7366514 0.96 SIGMAR1 (1.00) SIGMAR1LTA4HHRH3SLC6A3CCR3
SCHEMBL83687 0.94 SIGMAR1 (0.86) SIGMAR1LTA4HHRH3SLC6A3CCR3
SCHEMBL28881215 0.92 SIGMAR1 (0.93) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
Ammonia Solution, Strong SCHEMBL28704893 0.92 SIGMAR1 (0.83) SIGMAR1LTA4HHRH3SLC6A3CCR3
Hydrochloric Acid SCHEMBL8037018 0.92 SIGMAR1 (0.83) SIGMAR1LTA4HHRH3SLC6A3GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150231126-A1 COMBINATIONS OF 5-HT2A INVERSE AGONISTS AND ANTAGONISTS WITH ANTIPSYCHOTICS ACADIA PHARM INC (US) 2015-08-20 US claimed
US-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2010-05-27 US claimed
EP-2134330-A2 COMBINATIONS OF 5-HT2A INVERSE AGONISTS AND ANTAGONISTS WITH ANTIPSYCHOTICS Acadia Pharmaceuticals Inc. (US) 2009-12-23 EP claimed
EP-2088147-A1 Dibenzo-condensed azepine, diazepine, oxazepine and thiazepine derivatives as muscarinic agonists and methods of treatment of neuropsychiatric disorders Arcadia Pharmaceuticals Inc. (US) 2009-08-12 EP claimed
EP-1696931-B1 AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARM INC (US) 2009-03-25 EP claimed
US-20090053329-A1 COMBINATIONS OF 5-HT2A INVERSE AGONISTS AND ANTAGONISTS WITH ANTIPSYCHOTICS ACADIA PHARMACEUTICALS, INC. (US) 2009-02-26 US claimed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO claimed
WO-2008116024-A2 COMBINATIONS OF 5-HT2A INVERSE AGONISTS AND ANTAGONISTS WITH ANTIPSYCHOTICS ACADIA PHARMACEUTICALS INC. (US) 2008-09-25 WO claimed
US-20230406851-A1 IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2023-12-21 US disclosed
CN-116472042-A 2-oxo-dihydroquinoline-3-carboxamide derivatives as modulators of GABA A type receptors 加的夫大学学院咨询有限公司 2023-07-21 CN disclosed
US-20230149396-A1 ORAL SOLID PREPARATIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US disclosed
US-20230121578-A1 SMALL MOLECULE MODULATORS OF THE BTB DOMAIN OF KEAP1 SELVITA SERVICES SP. Z O.O. (PL) 2023-04-20 US disclosed
CN-115666526-A Oral solid preparation 武田药品工业株式会社 2023-01-31 CN disclosed
EP-4114361-A1 ORAL SOLID PREPARATIONS Takeda Pharmaceutical Company Limited (JP) 2023-01-11 EP disclosed
EP-0405436-A2 Dihetero nitrogen-containing cycloheteroethanoanthracene derivatives as antipsychotic agents G.D. Searle & Co. (US) 1991-01-02 EP disclosed
EP-0164706-B1 PHENYLALKYL AMINE BIOREGULATORS BASF Aktiengesellschaft (DE) 1989-04-05 EP disclosed
US-4395410-A Quaternary ammonium antiarrhythmic drugs ELI LILLY AND COMPANY (US) 1983-07-26 US disclosed
EP-0002604-B1 QUATERNARY AMMONIUM SALTS, AND THEIR FORMULATIONS AND PREPARATION ELI LILLY AND COMPANY (US) 1983-05-04 EP disclosed
US-4289787-A PROLONG ACTION POTENTIAL OF CARDIAC TISSUE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0002604-A1 Quaternary ammonium salts, and their formulations and preparation ELI LILLY AND COMPANY (US) 1979-06-27 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 (6 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-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 SIGMAR1 190/4885LTA4H 1121/4885HRH3 541/4885
US-20150231126-A1 COMBINATIONS OF 5-HT2A INVERSE AGONISTS AND ANTAGONISTS WITH ANTIPSYCHOTICS HTR2A, HTR3A, HTR1A SIGMAR1 314/4885LTA4H 2639/4885HRH3 1015/4885
US-20230406851-A1 IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF NISCH, ABL1, PAICS SIGMAR1 2026/4885LTA4H 2010/4885HRH3 213/4885
US-20230121578-A1 SMALL MOLECULE MODULATORS OF THE BTB DOMAIN OF KEAP1 KEAP1, LRRK2, TFEB SIGMAR1 3827/4885LTA4H 936/4885HRH3 640/4885
US-20230149396-A1 ORAL SOLID PREPARATIONS DAO, DDO, XDH SIGMAR1 2892/4885LTA4H 229/4885HRH3 222/4885
US-20090053329-A1 COMBINATIONS OF 5-HT2A INVERSE AGONISTS AND ANTAGONISTS WITH ANTIPSYCHOTICS HTR2A, HTR3A, HTR1A SIGMAR1 287/4885LTA4H 2826/4885HRH3 943/4885

“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.