SCHEMBL4943552

SCHEMBL4943552

O=Cc1ccc(N2CCNCC2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.65
HTR3E A5X5Y0 4/20 0.54
HTR3B O95264 4/20 0.54
HTR3A P46098 4/20 0.54
HTR3D Q70Z44 4/20 0.54
HTR3C Q8WXA8 4/20 0.54
SIGMAR1 Q99720 4/20 0.54
HTR1A P08908 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR7 P34969 1/20 0.54
HTR2B P41595 1/20 0.54

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
Hydrochloric Acid SCHEMBL11481867 0.98 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15093843 0.85 ALDH1A1 (0.59) ADRB1TDP1PIK3CDPIK3CAPIK3CB
SCHEMBL23932966 0.83 ALDH1A1 (0.58) ADRB1HTTTDP1PIK3CDPIK3CA
SCHEMBL29539988 0.83 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4515429 0.81 PIK3CD (0.68) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL31494973 0.81 CHRNB2 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6237204 0.81 PRKDC (0.68) TP53HTTTDP1PIK3CDPIK3CA
SCHEMBL28569133 0.81 ADRB1 (0.47) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9730650 0.79 TDP1 (0.44) ADRB1TDP1PIK3CDPIK3CAPIK3CB
SCHEMBL232689 0.79 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029215-A Amino group-containing acetal-type releasable polyoxyethylene derivative, process for producing the same, and amino group-containing acetal-type releasable polyoxyethylene conjugate 日油株式会社 2026-05-12 CN disclosed
WO-2025084230-A1 ACETAL-TYPE RELEASABLE POLYOXYETHYLENE DERIVATIVE CONTAINING AMINO GROUP, METHOD FOR PRODUCING SAME, AND ACETAL-TYPE RELEASABLE POLYOXYETHYLENE CONJUGATE CONTAINING AMINO GROUP 日油株式会社 2025-04-24 WO disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
EP-1858869-A1 ACYLATED PIPERIDINES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
EP-1379234-B1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2006-03-29 EP disclosed
US-6919336-B2 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of IL-1 and TNF NOVARTIS AG (CH) 2005-07-19 US disclosed
US-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf NOVARTIS AG (CH) 2004-05-20 US disclosed
EP-1379234-A1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF Novartis AG (CH) 2004-01-14 EP disclosed
WO-2002076447-A1 HALLOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2002-10-03 WO disclosed
EP-0011092-A1 Alpha-aminophenylacetic acid derivatives for use in the treatment of inflammations and novel alpha-aminophenylacetic acid derivatives BAYER AG (DE) 1980-05-28 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 (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-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors SLC1A1, SLC6A7, SLC1A2 ADRB1 890/4885HTR3E 1436/4885HTR3B 934/4885
US-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf TNF, NFKBIA, IL1A ADRB1 851/4885HTR3E 2482/4885HTR3B 1298/4885

“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.