SCHEMBL4010533

SCHEMBL4010533

N#CCc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.69
HRH4 Q9H3N8 1/20 0.62
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 2/20 0.60
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
NCF1 P14598 1/20 0.55
MBTD1 Q05BQ5 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL3440098 0.98 HRH3 (0.65) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL6225470 0.83 USP2 (0.55) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4277270 0.83 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL6223759 0.81 HRH3 (0.65) HRH3ALDH1A1NCF1SMN1; SMN2
SCHEMBL3594477 0.81 LMNA (0.61) HRH3ALDH1A1KDM4ENCF1
Hydrochloric Acid SCHEMBL7468055 0.81 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL11201497 0.81 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL154169 0.81 HRH3 (0.70) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL151230 0.81 HRH3 (0.70) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL24732706 0.80 PRMT6 (0.62) HRH3ALDH1A1KDM4ECYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
CN-1708476-A Novel amide compounds having MCH-antagonistic action and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN disclosed
CN-1678591-A Novel carboxamide compounds having MCH-antagonistic action, pharmaceutical preparations comprising said compounds and process for their preparation BOEHRINGER INGELHEIM INT (DE) 2005-10-05 CN disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP 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
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO 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
EP-0393534-B1 Pharmaceutically active pteridine derivatives ROEHM GMBH (DE) 1995-07-12 EP disclosed
US-5124326-A Antiarrhythmic, hypotensive agents; diuretics ROEHM GMBH CHEMISCHE FABRIK (DE) 1992-06-23 US disclosed
EP-0393534-A2 Pharmaceutically active pteridine derivatives RÖHM GMBH (DE) 1990-10-24 EP 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 (2 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 254/4885HRH4 130/4885ALDH1A1 3363/4885
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R HRH3 80/4885HRH4 49/4885ALDH1A1 4267/4885

“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.