SCHEMBL6706734

SCHEMBL6706734

O=C(NCCc1ccc(CN2CCC(Nc3ccccn3)CC2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MCHR1 Q99705 6/20 0.51
CHRM4 P08173 1/20 0.47
CHRM1 P11229 2/20 0.45
HTR2A P28223 2/20 0.45
CYP2D6 P10635 1/20 0.45
AKT1 P31749 1/20 0.44
CXCR3 P49682 1/20 0.43
CYP2C19 P33261 2/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 1/20 0.42
SLC6A12 P48065 1/20 0.42
MAPK1 P28482 1/20 0.42
CCR2 P41597 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 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
SCHEMBL6705917 0.88 MCHR1 (0.54) MCHR1CHRM4CHRM1HTR2ACYP2D6
SCHEMBL6225469 0.87 ACHE (0.46) RAB9AMCHR1CHRM1HTR2ACYP2D6
SCHEMBL6708084 0.87 NPC1 (0.50) NPC1RAB9AMCHR1CHRM4CHRM1
SCHEMBL6708083 0.84 NPC1 (0.59) NPC1RAB9AMCHR1CHRM4CHRM1
SCHEMBL6706763 0.83 MCHR1 (0.72) NPC1RAB9AMCHR1CHRM4CHRM1
SCHEMBL6706726 0.82 MCHR1 (0.71) NPC1RAB9AMCHR1CHRM1HTR2A
SCHEMBL6704624 0.81 NPC1 (0.61) NPC1RAB9AMCHR1CHRM4CHRM1
SCHEMBL6706605 0.79 NPC1 (0.58) NPC1RAB9AMCHR1CHRM4CHRM1
SCHEMBL6222465 0.78 AKT1 (0.43) MCHR1CHRM4CHRM1HTR2ACYP2D6
SCHEMBL6704701 0.78 MCHR1 (0.59) NPC1RAB9AMCHR1CHRM4CHRM1

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 NPC1 2495/4885RAB9A 2725/4885MCHR1 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.