SCHEMBL5577352

SCHEMBL5577352

Cc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccc(C)cc4C)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MCHR1 Q99705 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
KCNH2 Q12809 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
DRD4 P21917 4/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
HDAC1 Q13547 2/20 0.46
GFER P55789 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL5577877 0.92 ALDH1A1 (0.49) MEN1KMT2AMCHR1ALDH1A1PKM
SCHEMBL5577744 0.89 ABCB1 (0.49) MCHR1ALDH1A1
SCHEMBL5577622 0.88 MEN1 (0.60) MEN1KMT2AMCHR1ALDH1A1PKM
SCHEMBL5577316 0.84 DRD2 (0.64) MEN1KMT2AMCHR1KCNH2CACNA1I
SCHEMBL5577272 0.84 DRD2 (0.48) MEN1KMT2AMCHR1ALDH1A1PKM
SCHEMBL5577770 0.84 MEN1 (0.53) MEN1KMT2AMCHR1ALDH1A1PKM
SCHEMBL5577360 0.83 MCHR1 (0.60) MEN1KMT2AMCHR1KCNH2CACNA1I
SCHEMBL5577650 0.83 MEN1 (0.62) MEN1KMT2AMCHR1ALDH1A1KCNH2
SCHEMBL5577876 0.81 ALDH1A1 (0.65) MEN1KMT2AMCHR1ALDH1A1KCNH2
SCHEMBL5577675 0.81 TSHR (0.66) MEN1KMT2AMCHR1HDAC1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C MEN1 748/4885KMT2A 3527/4885MCHR1 4381/4885

“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.