SCHEMBL4265725

SCHEMBL4265725

NCCc1ccc(CN2CCC(Nc3ccccn3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58
HRH3 Q9Y5N1 1/20 0.57
SIGMAR1 Q99720 3/20 0.50
ACHE P22303 7/20 0.49
NOS2 P35228 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
BACE1 P56817 4/20 0.47
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
OPRK1 P41145 1/20 0.44
FAAH O00519 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL3359734 0.88 DRD2 (0.71) DRD2DRD4DRD3HRH3SIGMAR1
SCHEMBL6225524 0.83 DRD2 (0.56) DRD2DRD4DRD3HRH3SIGMAR1
SCHEMBL1307498 0.83 NOS2 (0.54) DRD2DRD4DRD3HRH3SIGMAR1
SCHEMBL11777245 0.81 SIGMAR1 (0.56) DRD2DRD4DRD3HRH3SIGMAR1
SCHEMBL13326542 0.81 DRD2 (0.65) DRD2DRD4DRD3HRH3SIGMAR1
Hydrochloric Acid SCHEMBL11773957 0.80 SIGMAR1 (0.55) DRD2DRD4DRD3HRH3SIGMAR1
SCHEMBL11778139 0.79 GRIN2B (0.59) DRD2DRD4DRD3HRH3SIGMAR1
SCHEMBL11775409 0.78 SIGMAR1 (0.58) DRD2DRD4DRD3SIGMAR1NOS2
SCHEMBL5315582 0.77 NOS2 (0.64) DRD2DRD4DRD3HRH3SIGMAR1
SCHEMBL3579881 0.77 HRH3 (0.65) HRH3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
EP-1730130-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2006-12-13 EP disclosed
WO-2005085221-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO disclosed
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 DRD2 286/4885DRD4 416/4885DRD3 404/4885

“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.