SCHEMBL2121005

SCHEMBL2121005

CC(C)(C)N(CCCCCCCCN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
LMNA P02545 3/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLG P00747 1/20 0.40
ALOX15 P16050 1/20 0.40
SLC6A2 P23975 1/20 0.40
RECQL P46063 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PAOX Q6QHF9 3/20 0.39
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CPB2 Q96IY4 4/20 0.36
BLM P54132 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33

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
SCHEMBL2174381 1.00 CHRM2 (0.41) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL146038 1.00 CHRM2 (0.41) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL27220640 1.00 CHRM2 (0.41) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL2125590 1.00 CHRM2 (0.41) CHRM2LMNATHRBKMT2AMEN1
Hydrochloric Acid SCHEMBL6157108 0.98 CHRM2 (0.40) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL838138 0.98 CHRM2 (0.38) CHRM2LMNATHRBKMT2AMEN1
Ammonia Solution, Strong SCHEMBL22716834 0.96 CHRM2 (0.37) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL838329 0.92 KMT2A (0.36) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL22321638 0.84 MEN1 (0.31) KMT2AMEN1
SCHEMBL5452674 0.83 CHRM2 (0.42) CHRM2LMNATHRBKMT2ABLM

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-20120093767-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
WO-2011139513-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO 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-20120093767-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS CHRM2 4552/4885LMNA 3006/4885THRB 3293/4885

“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.