SCHEMBL6225118

SCHEMBL6225118

Cc1ccc(-c2ccc3c(=O)n(CCc4ccc(CN5CCCC5)cc4)cnc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ MCHR1 Q99705 3/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ GRK1 Q15835 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ LSS P48449 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL6223269 0.92 HRH3 (0.46) HRH3HTR1AHTR7HDAC6MCHR1
SCHEMBL6223111 0.91 MCHR1 (0.50) HRH3HTR1AHTR7HDAC6MCHR1
SCHEMBL6225277 0.90 MCHR1 (0.49) HRH3HTR1AHTR7MCHR1GRK2
SCHEMBL6277525 0.90 MCHR1 (0.53) HRH3HTR1AHTR7HDAC6MCHR1
SCHEMBL6247232 0.89 P2RX3 (0.49) HRH3MCHR1POLBMAPTP2RX3
SCHEMBL6222920 0.88 SCD (0.45) HRH3HTR1AHTR7HDAC6MCHR1
SCHEMBL6224275 0.87 CHKA (0.47) HRH3HTR1AHTR7MCHR1GRK2
SCHEMBL6226834 0.85 ROCK1 (0.51) HRH3MCHR1GRK2GRK1LSS
SCHEMBL6223875 0.82 PDE5A (0.46) HRH3HTR1AHTR7MCHR1GRK2
SCHEMBL6222578 0.82 MEN1 (0.49) HRH3HDAC6HDAC1HDAC2HDAC11

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 HRH3 254/4885HTR1A 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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