SCHEMBL6247232

SCHEMBL6247232

COc1ccc(-c2ccc3c(=O)n(CCc4ccc(CN5CCCC5)cc4)cnc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 8/20 0.49
▸ CHKA P35790 1/20 0.48
▸ MCHR1 Q99705 3/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 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
SCHEMBL6226834 0.92 ROCK1 (0.51) P2RX3MCHR1HRH3CDK4CCND1
SCHEMBL6225118 0.89 HRH3 (0.46) P2RX3MCHR1HRH3MAPTPOLB
SCHEMBL6223269 0.89 HRH3 (0.46) P2RX3MCHR1HRH3MAPTPOLB
SCHEMBL6223111 0.88 MCHR1 (0.50) MCHR1HRH3
SCHEMBL6277525 0.87 MCHR1 (0.53) MCHR1HRH3MEN1MAPTKMT2A
SCHEMBL6225277 0.87 MCHR1 (0.49) MCHR1HRH3CDK4CCND1
SCHEMBL6222920 0.85 SCD (0.45) P2RX3CHKAMCHR1HRH3POLB
SCHEMBL6224275 0.85 CHKA (0.47) CHKAMCHR1HRH3
SCHEMBL13362754 0.80 P2RX3 (0.65) P2RX3MAPTROCK2ROCK1POLB
SCHEMBL6223875 0.80 PDE5A (0.46) MCHR1HRH3MEN1KMT2A

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 P2RX3 819/4885CHKA 2359/4885MCHR1 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.

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