SCHEMBL6706735

SCHEMBL6706735

CCN(CCC(=O)O)Cc1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.72
CYP2D6 P10635 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
GFER P55789 1/20 0.54
CHRM1 P11229 2/20 0.54
HTR2A P28223 2/20 0.54
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
TMEM97 Q5BJF2 4/20 0.51
SIGMAR1 Q99720 4/20 0.51

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
SCHEMBL6706744 0.91 MCHR1 (0.81) MCHR1CYP2D6SMN1; SMN2NPC1CYP1A2
SCHEMBL6704627 0.81 MCHR1 (0.67) MCHR1CYP2D6SMN1; SMN2NPC1CYP1A2
SCHEMBL3867760 0.80 MCHR1 (0.62) MCHR1CYP2D6SMN1; SMN2NPC1CYP1A2
SCHEMBL11486928 0.80 NPC1 (0.73) MCHR1CYP2D6SMN1; SMN2NPC1CYP1A2
SCHEMBL7702871 0.79 ESRRG (0.68) MCHR1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8163393 0.78 MCHR1 (0.77) MCHR1CYP2D6SMN1; SMN2NPC1CYP1A2
SCHEMBL6223646 0.78 MCHR1 (0.77) MCHR1CYP2D6SMN1; SMN2NPC1CYP1A2
SCHEMBL6705905 0.77 MCHR1 (0.62) MCHR1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL11707941 0.76 CYP2D6 (0.91) MCHR1CYP2D6SMN1; SMN2NPC1CYP1A2
SCHEMBL3018104 0.76 MCHR1 (0.77) MCHR1CYP2D6SMN1; SMN2NPC1CYP1A2

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 1 patent. 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 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 2/4885CYP2D6 1590/4885SMN1; SMN2 3130/4885

“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.