SCHEMBL5577635

SCHEMBL5577635

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccc(OC)cc4)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.57
CHRM4 P08173 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ACKR3 P25106 1/20 0.55
MCHR1 Q99705 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HDAC1 Q13547 1/20 0.55
LMNA P02545 1/20 0.54
MAOA P21397 1/20 0.54
CHRM3 P20309 1/20 0.54
USP5 P45974 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL5577675 0.96 TSHR (0.66) TSHRSMN1; SMN2CHRM4MEN1KMT2A
SCHEMBL5577832 0.96 TSHR (0.66) TSHRSMN1; SMN2CHRM4MEN1KMT2A
SCHEMBL5577475 0.93 TSHR (0.62) TSHRSMN1; SMN2CHRM4MEN1KMT2A
SCHEMBL5577396 0.92 TSHR (0.61) TSHRSMN1; SMN2CHRM4MEN1KMT2A
SCHEMBL5577592 0.92 TSHR (0.61) TSHRSMN1; SMN2CHRM4MEN1KMT2A
SCHEMBL5577836 0.91 TSHR (0.59) TSHRSMN1; SMN2MEN1KMT2AACKR3
SCHEMBL5577337 0.88 TSHR (0.56) TSHRSMN1; SMN2MEN1KMT2AMCHR1
SCHEMBL5577622 0.87 MEN1 (0.60) TSHRMEN1KMT2AMCHR1HDAC1
SCHEMBL5577499 0.84 CHRM3 (0.58) TSHRSMN1; SMN2CHRM4MEN1KMT2A
SCHEMBL14586598 0.84 LMNA (0.55) TSHRSMN1; SMN2ACKR3MCHR1L3MBTL1

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 4205/4885SMN1; SMN2 2012/4885CHRM4 3794/4885

“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.