SCHEMBL13442

SCHEMBL13442

c1cc(CN2CCCCC2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.71
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
HRH4 Q9H3N8 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
CASP1 P29466 1/20 0.57
CASP4 P49662 1/20 0.57
CASP5 P51878 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
CCR2 P41597 1/20 0.55
LSS P48449 1/20 0.55
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 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
SCHEMBL10525513 1.00 HRH3 (0.71) HRH3CYP1A2CYP3A4HRH4L3MBTL1
SCHEMBL2208141 1.00 HRH3 (0.71) HRH3CYP1A2CYP3A4HRH4L3MBTL1
SCHEMBL3994683 0.98 HRH3 (0.67) HRH3CYP1A2CYP3A4HRH4L3MBTL1
SCHEMBL28269086 0.89 LSS (0.66) HRH3CYP3A4L3MBTL1TDP1ALDH1A1
SCHEMBL30341140 0.88 HRH3 (0.54) HRH3CYP1A2CYP3A4HRH4L3MBTL1
SCHEMBL4277270 0.84 HRH3 (1.00) HRH3HRH4L3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7468055 0.81 HRH3 (0.95) HRH3HRH4L3MBTL1ALDH1A1KDM4E
SCHEMBL4022095 0.81 CXCR4 (0.72) HRH3CYP3A4TDP1ALDH1A1CYP2D6
SCHEMBL15473911 0.81 CHKA (0.70) KDM4ECCR2
SCHEMBL11201497 0.81 HRH3 (0.94) HRH3HRH4L3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US claimed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US claimed
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 US disclosed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US disclosed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US disclosed
US-20220373541-A1 Tri-functional Crosslinking Reagents ETH ZURICH (CH) 2022-11-24 US disclosed
US-11385225-B2 Tri-functional crosslinking reagents ETH ZURICH (CH) 2022-07-12 US disclosed
EP-3374348-B1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2021-11-24 EP disclosed
US-10550093-B2 Third generation taxoids and methods of using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-02-04 US disclosed
US-20180328922-A1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2018-11-15 US disclosed
US-20180194744-A1 Third Generation Taxoids and Methods of Using Same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2018-07-12 US disclosed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN disclosed
EP-0049173-B1 PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL DERIVATIVES CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-07-03 EP disclosed
US-4439609-A 4-TERT-AMINOALKYL, 2-AMINOALKOXY OR 2-AMINOALKYLENETHIOALKYL SUBSTITUTED, CHEMICAL INTERMEDIATES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-03-27 US disclosed
US-4396765-A ANTIASTHMATICS, BRONCHODILATORS STERLING DRUG INC. (US) 1983-08-02 US disclosed
US-4385058-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-05-24 US disclosed
US-4339576-A Anti-asthmatic, anti-allergic, anti-cholinergic, bronchodilator and anti-inflammatory 1-[(benzoylphenyl)-lower-alkyl]piperidines and analogs thereof STERLING DRUG INC. (US) 1982-07-13 US disclosed
EP-0052311-A1 1-((Benzoylphenyl) - lower-alkyl) piperidines and carbinol analogs and preparation thereof STERLING DRUG INC. (US) 1982-05-26 EP disclosed
EP-0049173-A2 Pyrimidone derivatives, processes for their preparation and pharmaceutical derivatives containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-04-07 EP disclosed
US-4304911-A ANTIHISTAMINES, ANTIALLERGENS, ANTICHOLINERGIC AGENTS, ANTIINFLAMMATORY AGENTS, BRONCHODILATOR AGENTS, AND ANALGESICS STERLING DRUG INC. (US) 1981-12-08 US 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 (8 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-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ HRH3 4374/4885CYP1A2 2997/4885CYP3A4 2883/4885
US-11385225-B2 Tri-functional crosslinking reagents ADGRF1, FCGR3B, FCGR2A HRH3 699/4885CYP1A2 1994/4885CYP3A4 1283/4885
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 HRH3 4782/4885CYP1A2 2248/4885CYP3A4 1376/4885
US-20180194744-A1 Third Generation Taxoids and Methods of Using Same CBR3, TUBB3, CBX3 HRH3 1273/4885CYP1A2 640/4885CYP3A4 1084/4885
US-20220373541-A1 Tri-functional Crosslinking Reagents ADGRF1, SIGLEC7, ADGRE5 HRH3 1080/4885CYP1A2 1464/4885CYP3A4 1058/4885
US-20180328922-A1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ADGRF1, FCGR3B, FCGR2A HRH3 699/4885CYP1A2 1994/4885CYP3A4 1283/4885
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof HBZ, ZFX, WIZ HRH3 4374/4885CYP1A2 2997/4885CYP3A4 2883/4885
US-10550093-B2 Third generation taxoids and methods of using same CBR3, TUBB3, CBX3 HRH3 1273/4885CYP1A2 640/4885CYP3A4 1084/4885

“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.