SCHEMBL182813

SCHEMBL182813

[c]1ccc(N2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.61
HTR3E A5X5Y0 4/20 0.61
HTR3B O95264 4/20 0.61
HTR3A P46098 4/20 0.61
HTR3D Q70Z44 4/20 0.61
HTR3C Q8WXA8 4/20 0.61
SIGMAR1 Q99720 4/20 0.61
ADRB2 P07550 1/20 0.57
NCF1 P14598 1/20 0.57
PLD1 Q13393 1/20 0.57
LTA4H P09960 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47

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
Bromide SCHEMBL11430793 0.98 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL215813 0.92 ADRB1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4613193 0.88 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4719117 0.87 ADRB1 (0.47) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL26978197 0.83 LTA4H (0.70) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL16570052 0.83 L3MBTL3 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5795262 0.83
SCHEMBL5570604 0.83 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL16345734 0.81 CYP2D6 (0.69) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL114702 0.78 CHKA (0.46) NCF1ALDH1A1KDM4ELMNAUSP2

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 1066 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024103023-A2 12-LIPOXYGENASE INHIBITORS FOR THE TREATMENT OF LUPUS VERALOX THERAPEUTICS (US) 2024-05-16 WO claimed
CN-114761406-B Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-04-19 CN claimed
EP-3778576-B1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME HANLIM PHARMACEUTICAL CO LTD (KR) 2024-04-17 EP claimed
US-11952363-B2 Piperazine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2024-04-09 US claimed
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP claimed
EP-4330247-A1 COMPOUNDS AND THEIR USES AS CD38 INHIBITORS Nanjing Immunophage Biotech Co., Ltd (CN) 2024-03-06 EP claimed
WO-2024019959-A1 COMPOSITIONS FOR MODULATING LIPOXYGENASE AND METHODS OF USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-25 WO claimed
EP-3054936-B1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2023-10-18 EP claimed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO claimed
CN-113816889-B 4-sulfimide-1H-pyrrole Mcl-1 inhibitor and anti-tumor medical application thereof 中国药科大学 2023-08-22 CN claimed
US-6569882-B2 Viricides; enzyme inhibitors G. D. SEARLE & CO. 2003-05-27 US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-01-16 US claimed
US-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS SYNTEX (U.S.A.) LLC 2002-07-11 US claimed
US-6417186-B1 TREATING PAIN, URINARY TRACT INFECTIONS, INFLAMMATION, RESPIRATORY DISEASE STATES FROM ALLERGIES OR ASTHMA, EDEMA FORMATION OR HYPOTENSIVE VASCULAR DISEASES. SYNTEX (U.S.A.) LLC 2002-07-09 US claimed
US-6384036-B1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. 2002-05-07 US claimed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US claimed
WO-1999002532-A2 PARTIALLY HYDROGENATED POLYCYCLIC COMPOUNDS NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP claimed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11952363-B2 Piperazine compounds for the treatment of autoimmune disease SSB, HLA-DRB1, IL5 ADRB1 656/4885HTR3E 4517/4885HTR3B 4063/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ADRB1 4631/4885HTR3E 2087/4885HTR3B 3598/4885
US-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS PTGER1, FFAR1, BDKRB1 ADRB1 5/4885HTR3E 432/4885HTR3B 371/4885

“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.