SCHEMBL6705589

SCHEMBL6705589

NCCc1ccc(CN2CCCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
TLR7 Q9NYK1 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL6706759 0.87 HRH3 (0.55) HRH3CYP1A2CYP2D6ALDH1A1MBTD1
SCHEMBL2587952 0.85 HRH3 (0.52) HRH3CYP1A2CYP2D6ALDH1A1HRH4
SCHEMBL21482062 0.80 HRH3 (0.52) HRH3CYP1A2CYP2D6ALDH1A1MBTD1
SCHEMBL13467093 0.80 HRH3 (0.71) HRH3CYP1A2CYP2D6ALDH1A1HRH4
SCHEMBL17538302 0.80 HRH3 (0.50) HRH3CYP1A2CYP2D6ALDH1A1MBTD1
SCHEMBL530048 0.80 HRH3 (0.53) HRH3CYP1A2CYP2D6ALDH1A1
SCHEMBL12160184 0.79 CYP1A2 (0.72) HRH3CYP1A2CYP2D6ALDH1A1HRH4
SCHEMBL6705583 0.77 HRH3 (0.46) HRH3CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL1935624 0.77 HRH3 (0.68) HRH3CYP2D6ALDH1A1MBTD1L3MBTL3
SCHEMBL6562985 0.77 HRH1 (0.48) HRH3CYP1A2CYP2D6ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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

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 254/4885CYP1A2 749/4885CYP2D6 1590/4885

“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.