SCHEMBL5577288

SCHEMBL5577288

COc1ccc(CN2CCC(c3cccc(CNC(=O)c4ccc(SC)cc4)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.56
TSHR P16473 1/20 0.55
DRD2 P14416 2/20 0.54
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
ACKR3 P25106 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CHRM4 P08173 2/20 0.49
DRD4 P21917 1/20 0.49
MEN1 O00255 2/20 0.48
CXCR3 P49682 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL5577427 0.93 ACKR3 (0.55) CHRM3DRD2KMT2APOLBACKR3
SCHEMBL5577402 0.91 MEN1 (0.56) DRD2KMT2ACHRM4DRD4MEN1
SCHEMBL5577693 0.90 CHRM3 (0.54) CHRM3DRD2KMT2AACKR3DRD4
SCHEMBL5577810 0.90 ALDH1A1 (0.56) DRD2KMT2ADRD4MEN1ALDH1A1
SCHEMBL5577479 0.90 CHRM2 (0.53) CHRM3DRD2KMT2APOLBCHRM4
SCHEMBL5577295 0.90 SMN1; SMN2 (0.53) CHRM3KMT2APOLBSMN1; SMN2MEN1
SCHEMBL5577499 0.89 CHRM3 (0.58) CHRM3TSHRDRD2KMT2AACKR3
SCHEMBL5577654 0.89 MEN1 (0.59) DRD2KMT2ACHRM4DRD4MEN1
SCHEMBL5577672 0.89 KMT2A (0.51) CHRM3TSHRKMT2APOLBACKR3
SCHEMBL5577786 0.89 MEN1 (0.50) CHRM3DRD2KMT2APOLBACKR3

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 CHRM3 2099/4885TSHR 4205/4885DRD2 4468/4885

“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.