SCHEMBL4607091

SCHEMBL4607091

Cn1nc(CCO)nc1NCCCOc1cccc(CN2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 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
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54
RAB9A P51151 1/20 0.54
HIF1A Q16665 1/20 0.54
HRH2 P25021 2/20 0.52
HRH3 Q9Y5N1 1/20 0.51
MEN1 O00255 1/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL11068165 0.95 SMN1; SMN2 (0.52) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11010882 0.93 SMN1; SMN2 (0.55) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11106320 0.93 SMN1; SMN2 (0.55) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
Lavoltidine SCHEMBL30095469 0.93 SMN1; SMN2 (0.55) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
Lavoltidine SCHEMBL1142 0.93 SMN1; SMN2 (0.55) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL10754400 0.90 HRH2 (0.54) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL10751306 0.90 SMN1; SMN2 (0.52) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL10749102 0.90 HRH2 (0.53) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL10750433 0.89 HRH2 (0.56) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11056248 0.89 SMN1; SMN2 (0.50) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6

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
US-20230349922-A1 H2 Blockers Targeting Liver Macrophages for the Prevention and Treatment of Liver Disease and Cancer UNIVERSITÉ DE STRASBOURG (FR) 2023-11-02 US disclosed
EP-4196793-A1 H2 BLOCKERS TARGETING LIVER MACROPHAGES FOR THE PREVENTION AND TREATMENT OF LIVER DISEASE AND CANCER Université de Strasbourg (FR) 2023-06-21 EP disclosed
WO-2022034121-A1 H2 BLOCKERS TARGETING LIVER MACROPHAGES FOR THE PREVENTION AND TREATMENT OF LIVER DISEASE AND CANCER UNIVERSITÉ DE STRASBOURG (FR) 2022-02-17 WO disclosed
US-8277782-B2 Antiinflammatory agent, metalloproteinase inhibitor, anti-oxidant and modifier of cell redox status, vitamins, inhibitor of activation of nuclear factor kappa beta THE PROCTER & GAMBLE COMPANY (US) 2012-10-02 US disclosed
EP-1294367-B1 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT PROCTER & GAMBLE (US) 2008-07-16 EP disclosed
US-20060193790-A1 Promoting whole body health THE PROCTER & GAMBLE COMPANY 2006-08-31 US disclosed
US-20050042283-A1 Histamine and CCK2/gastrin receptor blockade in the treatment of acid-peptic disease and cancer UNIVERSITY OF MASSACHUSETTS (US) 2005-02-24 US disclosed
WO-2005007107-A2 HISTAMINE AND CCK2/GASTRIN RECEPTOR BLOCKADE IN THE TREATMENT OF ACID-PEPTIC DISEASE AND CANCER UNIVERSITY OF MASSACHUSETTS (US) 2005-01-27 WO disclosed
EP-1294367-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT The Procter & Gamble Company (US) 2003-03-26 EP disclosed
WO-2002002096-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT THE PROCTER & GAMBLE COMPANY (US) 2002-01-10 WO disclosed
US-5364616-A Use of H-2 antagonists for treatment of gingivitis THE PROCTER & GAMBLE COMPANY (US) 1994-11-15 US disclosed
US-5294433-A Dentistry THE PROCTER & GAMBLE COMPANY (US) 1994-03-15 US disclosed
WO-1993020815-A1 USE OF H-2 ANTAGONISTS FOR TREATMENT OF GINGIVITIS THE PROCTER & GAMBLE COMPANY (US) 1993-10-28 WO 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-20060193790-A1 Promoting whole body health IFNG, TNF, TLR6 SMN1; SMN2 3189/4885TP53 2738/4885CYP1A2 2115/4885
US-20050042283-A1 Histamine and CCK2/gastrin receptor blockade in the treatment of acid-peptic disease and cancer HRH2, CCKBR, GRPR SMN1; SMN2 3838/4885TP53 2468/4885CYP1A2 718/4885

“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.