SCHEMBL6705907

SCHEMBL6705907

O=C(NCCc1ccc(CN2CCCC2)cc1)N1CCc2ccccc2CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.52
WDR77 Q9BQA1 3/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MCHR1 Q99705 4/20 0.51
CYP2D6 P10635 2/20 0.51
CHRM1 P11229 1/20 0.51
HTR2A P28223 1/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HPGD P15428 2/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MLLT1 Q03111 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
SCHEMBL6705890 0.89 NAMPT (0.60) MCHR1CYP2D6CHRM1HTR2AALDH1A1
SCHEMBL6705916 0.81 CHRM4 (0.69) MCHR1CHRM1KMT2AALDH1A1KDM4E
SCHEMBL6704792 0.80 MEN1 (0.61) KMT2AHRH3MEN1SMN1; SMN2
SCHEMBL6704754 0.79 MCHR1 (0.52) MCHR1CYP2D6CHRM1HTR2AKMT2A
SCHEMBL6705906 0.79 MCHR1 (0.52) MCHR1CYP2D6CHRM1HTR2AKMT2A
SCHEMBL6704534 0.78 L3MBTL3 (0.59) MCHR1CYP2D6CHRM1HTR2ACYP3A4
SCHEMBL6704726 0.78 MAPT (0.56) MCHR1CYP2D6CHRM1HTR2AHRH3
SCHEMBL311932 0.78 GAA (0.67) KMT2AALDH1A1TDP1HRH3MEN1
SCHEMBL6706014 0.78 CHRM4 (0.54) MCHR1CYP2D6CHRM1HTR2AALDH1A1
SCHEMBL6705783 0.78 CHRM4 (0.70) MCHR1CYP2D6CHRM1HTR2AKMT2A

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 PRMT5 188/4885WDR77 1703/4885HDAC1 2047/4885

“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.