SCHEMBL6226834

SCHEMBL6226834

COc1cccc(-c2ccc3c(=O)n(CCc4ccc(CN5CCCC5)cc4)cnc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ P2RX3 P56373 5/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ MCHR1 Q99705 2/20 0.46
▸ LSS P48449 1/20 0.46
▸ GRK2 P25098 2/20 0.45
▸ AURKA O14965 1/20 0.45
▸ PRKCB P05771 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ GRK5 P34947 1/20 0.45
▸ GRK6 P43250 1/20 0.45
▸ CAMK2B Q13554 1/20 0.45
▸ RPS6KA1 Q15418 1/20 0.45
▸ GRK7 Q8WTQ7 1/20 0.45
▸ AVPR1B P47901 3/20 0.45
▸ POLB P06746 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL6247232 0.92 P2RX3 (0.49) ROCK1ROCK2P2RX3CDK4CCND1
SCHEMBL6223269 0.85 HRH3 (0.46) P2RX3MCHR1LSSGRK2POLB
SCHEMBL6225118 0.85 HRH3 (0.46) P2RX3MCHR1LSSGRK2POLB
SCHEMBL6223111 0.84 MCHR1 (0.50) MCHR1LSSGRK2GRK1HRH3
SCHEMBL6277525 0.83 MCHR1 (0.53) CDK4CCND1MCHR1LSSGRK2
SCHEMBL6222920 0.83 SCD (0.45) P2RX3MCHR1LSSGRK2POLB
SCHEMBL6225277 0.83 MCHR1 (0.49) CDK4CCND1MCHR1LSSGRK2
SCHEMBL6224275 0.80 CHKA (0.47) MCHR1LSSGRK2SIGMAR1GRK1
SCHEMBL6223875 0.76 PDE5A (0.46) MCHR1GRK2GRK1HRH3DRD2
SCHEMBL6225125 0.74 DRD2 (0.56) GRK2GRK1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 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 ROCK1 2297/4885ROCK2 1396/4885P2RX3 819/4885

“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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