SCHEMBL6224972

SCHEMBL6224972

O=c1c2ccc(-c3ccc(Cl)cc3)cc2ccn1CCc1ccc(CN2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.51
HRH3 Q9Y5N1 3/20 0.49
MCHR1 Q99705 10/20 0.47
CHRM1 P11229 4/20 0.47
HTR2A P28223 4/20 0.47
CYP2D6 P10635 1/20 0.46
LSS P48449 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
ACHE P22303 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6227044 0.82 HSP90AB1 (0.53) HSP90AB1KDM4E
SCHEMBL6223111 0.81 MCHR1 (0.50) HRH3MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6225277 0.80 MCHR1 (0.49) HRH3MCHR1CHRM1HTR2ACYP2D6
SCHEMBL29283806 0.76 HSP90AB1 (0.76) HSP90AB1L3MBTL1ACHE
SCHEMBL31006527 0.76 HSP90AB1 (0.76) HSP90AB1L3MBTL1ACHE
SCHEMBL2881383 0.76 MCHR1 (0.55) HRH3MCHR1CYP2D6MBTD1L3MBTL3
SCHEMBL6222888 0.75 MEN1 (0.48) HRH3MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6705718 0.74 HTR3A (0.55) HRH3MCHR1KDM4EALDH1A1CDK4
SCHEMBL6224380 0.74 HRH3 (0.47) HRH3MCHR1CHRM1HTR2ACYP2D6
SCHEMBL29283865 0.72 HSP90AB1 (0.69) HSP90AB1ALDH1A1ACHE

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 4 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
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 HSP90AB1 4244/4885HRH3 254/4885MCHR1 2/4885

“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.