SCHEMBL6226795

SCHEMBL6226795

CNC1CCC(c2ccc(CN3CCCCC3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.61
NCF1 P14598 1/20 0.51
HRH4 Q9H3N8 1/20 0.49
LSS P48449 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6226793 1.00 HRH3 (0.61) HRH3NCF1HRH4LSSALDH1A1
SCHEMBL6227149 0.98 HRH3 (0.59) HRH3NCF1HRH4LSSALDH1A1
SCHEMBL6227147 0.98 HRH3 (0.59) HRH3NCF1HRH4LSSALDH1A1
SCHEMBL13577677 0.87 HRH3 (0.69) HRH3HRH4LSSALDH1A1KDM4E
SCHEMBL8084041 0.86 HRH3 (0.53) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3440556 0.82 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4EMEN1
SCHEMBL30596544 0.82 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4EMEN1
SCHEMBL7319627 0.82 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7329891 0.81 HRH3 (0.64) HRH3HRH4ALDH1A1KDM4EMEN1
SCHEMBL8533993 0.80 HRH3 (0.58) HRH3HRH4LSSALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045832-B1 NOVEL URETHANES, THIO AND DITHIO ANALOGUES, THE SALTS THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2005-03-23 EP disclosed
US-20020019536-A1 Poultry feed for low cholesterol eggs BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-02-14 US disclosed
US-6346545-B1 POULTRY FEED FOR LOW CHOLESTEROL EGGS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-02-12 US disclosed
EP-1045832-A2 NOVEL URETHANES, THIO AND DITHIO ANALOGUES, THE SALTS THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2000-10-25 EP disclosed
WO-1999029662-A2 URETHANES, THIO AND DITHIO ANALOGUES, THE SALTS THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-17 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 (1 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-20020019536-A1 Poultry feed for low cholesterol eggs CYP7A1, NR5A1, AUP1 HRH3 3352/4885NCF1 1412/4885HRH4 2770/4885

“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.