SCHEMBL6222920

SCHEMBL6222920

O=c1c2ccc(-c3ccc(Cl)c(Cl)c3)cc2ncn1CCc1ccc(CN2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ GRK1 Q15835 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ LSS P48449 1/20 0.42
▸ MCHR1 Q99705 2/20 0.42
▸ MBTD1 Q05BQ5 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CHKA P35790 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ PSMB2 P49721 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ APP P05067 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
SCHEMBL6223111 0.91 MCHR1 (0.50) HTR1AHTR7HRH3GRK2GRK1
SCHEMBL6225277 0.90 MCHR1 (0.49) HTR1AHTR7HRH3GRK2GRK1
SCHEMBL6223269 0.88 HRH3 (0.46) HTR1AHTR7POLBHRH3GRK2
SCHEMBL6225118 0.88 HRH3 (0.46) HTR1AHTR7POLBHRH3GRK2
SCHEMBL6277525 0.88 MCHR1 (0.53) HTR1AHTR7HRH3GRK2GRK1
SCHEMBL6247232 0.85 P2RX3 (0.49) POLBHRH3MCHR1CHKAP2RX3
SCHEMBL6224275 0.85 CHKA (0.47) HTR1AHTR7HRH3GRK2GRK1
SCHEMBL6226834 0.83 ROCK1 (0.51) POLBHRH3GRK2GRK1SIGMAR1
SCHEMBL6223875 0.82 PDE5A (0.46) HTR1AHTR7HRH3GRK2GRK1
SCHEMBL6225614 0.81 PSMB2 (0.45) HTR1AHTR7HRH3GRK2GRK1

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 SCD 1888/4885HTR1A 71/4885HTR7 169/4885

“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.

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