SCHEMBL768609

SCHEMBL768609

CNCCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 18/20 0.52
PRMT6 Q96LA8 17/20 0.52
TLR9 Q9NR96 1/20 0.45
PRMT3 O60678 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
PRCP P42785 1/20 0.43

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
SCHEMBL768103 0.84 HRH3 (0.41) CARM1PRMT6PRCP
SCHEMBL28896792 0.83 KMT2A (0.50)
SCHEMBL29277149 0.80 CARM1 (0.50) CARM1PRMT6TLR9PRMT3PRMT8
SCHEMBL768953 0.79 HRH3 (0.42) PRCP
SCHEMBL768111 0.79 CHRM2 (0.43) CARM1PRMT6PRMT8
SCHEMBL769138 0.78 HRH3 (0.41) PRCP
SCHEMBL768533 0.78 HRH3 (0.41) PRCP
SCHEMBL767767 0.78 HRH3 (0.41) PRCP
SCHEMBL769143 0.77 CHRM2 (0.40) CARM1PRMT6PRMT8PRCP
Hydrochloric Acid SCHEMBL768805 0.77 CHRM3 (0.45) PRCP

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 CARM1 1411/4885PRMT6 1142/4885TLR9 1305/4885

“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.