SCHEMBL5577675

SCHEMBL5577675

COc1ccc(C(=O)NCc2ccc(C3CCN(Cc4ccc(C)cc4)CC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
MCHR1 Q99705 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
LMNA P02545 3/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CHRM4 P08173 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ACKR3 P25106 1/20 0.52
HDAC1 Q13547 1/20 0.52
NPC1 O15118 1/20 0.51
EPHX2 P34913 1/20 0.51
RAB9A P51151 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOA P21397 1/20 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
SCHEMBL5577832 1.00 TSHR (0.66) TSHRMCHR1HRH3LMNAMAPT
SCHEMBL5577635 0.96 TSHR (0.71) TSHRMCHR1HRH3LMNASMN1; SMN2
SCHEMBL5577622 0.93 MEN1 (0.60) TSHRMCHR1LMNAMEN1KMT2A
SCHEMBL5577475 0.89 TSHR (0.62) TSHRMCHR1HRH3LMNAMAPT
SCHEMBL5577592 0.88 TSHR (0.61) TSHRLMNASMN1; SMN2CHRM4MEN1
SCHEMBL5577396 0.88 TSHR (0.61) TSHRMCHR1HRH3LMNASMN1; SMN2
SCHEMBL5577471 0.88 MEN1 (0.58) TSHRMCHR1HRH3LMNAMAPT
SCHEMBL5577360 0.88 MCHR1 (0.60) MCHR1CHRM4MEN1KMT2AHDAC1
SCHEMBL5577650 0.87 MEN1 (0.62) MCHR1MEN1KMT2AHDAC1MAOA
SCHEMBL5577836 0.87 TSHR (0.59) TSHRMCHR1LMNASMN1; SMN2MEN1

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 TSHR 4205/4885MCHR1 4381/4885HRH3 323/4885

“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.