SCHEMBL25973017

SCHEMBL25973017

c1ccc2c([C@@H]3CCCN3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
KDM1A O60341 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM5 P08912 3/20 0.42
CHRM3 P20309 3/20 0.42
CHRM1 P11229 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
MTNR1A P48039 1/20 0.41
IDO1 P14902 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP2D6 P10635 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL4149119 1.00 SCN9A (0.46) SCN9AKDM1AMEN1KMT2ACHRM5
SCHEMBL9634176 0.95 KDM1A (0.43) SCN9AKDM1AMEN1KMT2AMTNR1A
SCHEMBL28905130 0.83 NR1H4 (0.39) SCN9AMEN1KMT2ACHRM5CHRM3
SCHEMBL28521104 0.81 CHRNA7 (0.53) SCN9AMEN1KMT2ACHRM5CHRM3
SCHEMBL27761854 0.79 MEN1 (0.41) MEN1KMT2ACHRM5CHRM3CHRM1
SCHEMBL6806512 0.79 MAPT (0.41) MEN1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL27999354 0.79 KDM1A (0.52) KDM1AMTNR1AIDO1CYP2D6SLC6A2
SCHEMBL13811323 0.79 KDM1A (0.52) KDM1AMTNR1AIDO1CYP2D6SLC6A2
SCHEMBL1638187 0.77 CYP2D6 (0.47) KDM1AMTNR1AIDO1CYP2D6SLC6A2
SCHEMBL1763476 0.77 KDM1A (0.50) KDM1AMTNR1AIDO1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT SCN9A 4176/4885KDM1A 3124/4885MEN1 1483/4885

“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.