SCHEMBL188699

SCHEMBL188699

[c]1ccccc1N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.50
HTR3E A5X5Y0 5/20 0.50
HTR3B O95264 5/20 0.50
HTR3A P46098 5/20 0.50
HTR3D Q70Z44 5/20 0.50
HTR3C Q8WXA8 5/20 0.50
SIGMAR1 Q99720 4/20 0.50
PLD1 Q13393 1/20 0.43
HTR7 P34969 5/20 0.42
HTR6 P50406 5/20 0.42
HTR1A P08908 4/20 0.42
HTR5A P47898 3/20 0.42
HTR2A P28223 2/20 0.42
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2D6 P10635 1/20 0.42
NCF1 P14598 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42

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
SCHEMBL4719111 0.89 ADRB1 (0.42) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8961761 0.85 MAPT (0.31) LMNAMAPT
SCHEMBL233233 0.81 HPGD (0.39) CYP1A2HSD17B10NCF1TSHRKDM4E
SCHEMBL159767 0.79 HPGD (0.42) SIGMAR1HSD17B10NCF1TSHRKDM4E
SCHEMBL3213064 0.76 AR (0.37) CYP1A2ALDH1A1CYP2C19MAPT
SCHEMBL189494 0.76 LMNA (0.50) CYP1A2HSD17B10NCF1TSHRKDM4E
SCHEMBL1852924 0.76 ADRA2C (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5655784 0.74 KCNA3 (0.38) ALDH1A1LMNAMAPK1MAPT
SCHEMBL5423827 0.74 KMT2A (0.50) HSD17B10TSHRALDH1A1LMNAHPGD
SCHEMBL3576514 0.74 LRRK2 (0.39) CYP2D6LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP claimed
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US claimed
WO-2022228496-A1 COMPOUNDS AND THEIR USES AS CD38 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2022-11-03 WO claimed
EP-3826724-B1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-10-05 EP 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
EP-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 EP claimed
US-5013732-A Analgesics STERLING DRUG INC. (US) 1991-05-07 US claimed
US-4978664-A Analgesic, anti-rheumatic, and anti-inflammatory agent STERLING DRUG INC. (US) 1990-12-18 US claimed
US-4885295-A ANALGESICS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES STERLING DRUG INC. (US) 1989-12-05 US claimed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US claimed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 US claimed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US claimed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 EP 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 (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-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 ADRB1 1046/4885HTR3E 1099/4885HTR3B 627/4885
US-11952363-B2 Piperazine compounds for the treatment of autoimmune disease SSB, HLA-DRB1, IL5 ADRB1 656/4885HTR3E 4517/4885HTR3B 4063/4885

“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.