SCHEMBL5577622

SCHEMBL5577622

Cc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccc(C)cc4)cc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HDAC1 Q13547 3/20 0.58
OPRM1 P35372 1/20 0.56
OPRK1 P41145 1/20 0.56
KCNH2 Q12809 1/20 0.55
CACNA1I Q9P0X4 1/20 0.55
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.53
MCHR1 Q99705 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL5577360 0.94 MCHR1 (0.60) MEN1KMT2AHDAC1OPRM1OPRK1
SCHEMBL5577650 0.94 MEN1 (0.62) MEN1KMT2AHDAC1OPRM1OPRK1
SCHEMBL5577675 0.93 TSHR (0.66) MEN1KMT2AHDAC1TSHRMCHR1
SCHEMBL5577832 0.93 TSHR (0.66) MEN1KMT2AHDAC1TSHRMCHR1
SCHEMBL5577876 0.93 ALDH1A1 (0.65) MEN1KMT2AHDAC1OPRM1OPRK1
SCHEMBL5577316 0.89 DRD2 (0.64) MEN1KMT2AHDAC1KCNH2CACNA1I
SCHEMBL5577352 0.88 MEN1 (0.49) MEN1KMT2AHDAC1OPRM1OPRK1
SCHEMBL5577534 0.88 ALDH1A1 (0.54) ALDH1A1TSHRGAAMCHR1LMNA
SCHEMBL5577635 0.87 TSHR (0.71) MEN1KMT2AHDAC1ALDH1A1TSHR
SCHEMBL13211709 0.85 HDAC1 (0.62) MEN1KMT2AHDAC1ALDH1A1TSHR

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 3527/4885HDAC1 710/4885

“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.