SCHEMBL6224751

SCHEMBL6224751

CCN(CC)Cc1ccc(CCN)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.61
TAAR1 Q96RJ0 8/20 0.58
CYP2A6 P11509 2/20 0.52
CYP1A2 P05177 1/20 0.52
HTR2A P28223 4/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR3A P46098 1/20 0.46
BACE1 P56817 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL7768079 0.83 HRH3 (0.84) HRH3HDAC8HDAC6
SCHEMBL1813157 0.82 HRH3 (0.67) HRH3ALDH1A1L3MBTL1HDAC8HDAC6
SCHEMBL4371629 0.82 HRH3 (0.67) HRH3KDM4EHDAC8HDAC6MAPT
SCHEMBL28816939 0.80 HRH3 (0.64) HRH3KDM4EALDH1A1HDAC8HDAC6
Hydrochloric Acid SCHEMBL4461628 0.80 HRH3 (0.64) HRH3ALDH1A1L3MBTL1HDAC8HDAC6
Phenethylamine SCHEMBL2528177 0.78 TAAR1 (0.70) TAAR1CYP2A6CYP1A2HTR2AHTR1A
SCHEMBL2876380 0.78 HRH3 (0.61) HRH3HDAC8HDAC6TDP1
SCHEMBL4277824 0.77 HRH3 (0.58) HRH3TAAR1CYP2A6CYP1A2HTR2A
SCHEMBL1956276 0.77 MAPT (0.64) HRH3KDM4EALDH1A1L3MBTL1HDAC8
SCHEMBL12680476 0.77 HRH3 (1.00) HRH3TAAR1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 EP disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R HRH3 254/4885TAAR1 141/4885CYP2A6 1696/4885

“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.