SCHEMBL6225535

SCHEMBL6225535

N#CCc1ccc(CN2CCC(Oc3ccccn3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
ROCK1 Q13464 2/20 0.44
SCN9A Q15858 5/20 0.43
SCN5A Q14524 3/20 0.43
KCNH2 Q12809 1/20 0.43
FFAR1 O14842 1/20 0.41
DRD4 P21917 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
AKT1 P31749 1/20 0.40
OPRK1 P41145 1/20 0.40
EPHX2 P34913 1/20 0.40
ROCK2 O75116 1/20 0.39
CCR2 P41597 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
SCHEMBL5300149 0.86 ROCK1 (0.56) HRH3ROCK1SCN9ASCN5AKCNH2
SCHEMBL1307334 0.82 EPHX2 (0.44) HRH3EPHX2
SCHEMBL6224824 0.82 ROCK1 (0.47) HRH3ROCK1SCN9ASCN5AKCNH2
SCHEMBL6225524 0.76 DRD2 (0.56) HRH3DRD4GAA
SCHEMBL10819391 0.75 HRH3 (0.48) HRH3SCN9ASCN5AEPHX2
SCHEMBL1306480 0.73 CARM1 (0.46) ROCK1SCN9ASCN5AKCNH2EPHX2
SCHEMBL1008493 0.72 LTA4H (0.68) KCNH2
SCHEMBL13683393 0.72 EPHX2 (0.44) HRH3EPHX2
SCHEMBL6227268 0.71 MEN1 (0.68) DRD4
SCHEMBL29605026 0.71 AVPR1A (0.49) KCNH2EPHX2

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 254/4885ROCK1 2297/4885SCN9A 3827/4885

“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.