SCHEMBL6223871

SCHEMBL6223871

O=C(NCCc1ccc(CN2CCCC2)c(C(=O)O)c1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.84
CHRM1 P11229 2/20 0.73
HTR2A P28223 2/20 0.73
CYP2D6 P10635 2/20 0.73
ALDH1A1 P00352 1/20 0.51
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6705827 0.89 MCHR1 (0.82) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL6706021 0.86 MCHR1 (0.72) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3875301 0.85 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3879136 0.85 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL6704462 0.84 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6GAA
SCHEMBL3870667 0.84 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL6704586 0.81 MCHR1 (0.78) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3868266 0.78 MCHR1 (0.82) MCHR1CHRM1HTR2ACYP2D6SMN1; SMN2
SCHEMBL3870972 0.76 MCHR1 (0.80) MCHR1CHRM1HTR2ACYP2D6PSEN1
SCHEMBL6223646 0.75 MCHR1 (0.77) MCHR1CHRM1HTR2ACYP2D6ALDH1A1

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 3 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 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 MCHR1 2/4885CHRM1 295/4885HTR2A 56/4885

“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.