SCHEMBL406639

SCHEMBL406639

CC(OO)N1C(=O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC1A2 P43004 2/20 0.34
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8024903 0.80 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8865951 0.78 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10022757 0.77 SLC1A2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8865252 0.73 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10903416 0.73 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1536266 0.72 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1698550 0.71 SMN1; SMN2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1403558 0.70 TSHR (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2036444 0.70 SLC1A2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2036449 0.70 KMT2A (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI SA (FR) 2014-06-05 US disclosed
US-8481042-B2 Conjugates of pyrrolo[1,4]benzodiazepine dimers as anticancer agents SANOFI (FR) 2013-07-09 US disclosed
US-20120276124-A1 MAYTANSINOIDS AND THE USE OF SAID MAYTANSINOIDS TO PREPARE CONJUGATES WITH AN ANTIBODY SANOFI (FR) 2012-11-01 US disclosed
US-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI (FR) 2012-09-27 US disclosed
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 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 (4 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-20120276124-A1 MAYTANSINOIDS AND THE USE OF SAID MAYTANSINOIDS TO PREPARE CONJUGATES WITH AN ANTIBODY C1R, OGFR, ARRB1 CHRM2 142/4885CHRM4 188/4885CHRM5 153/4885
US-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents GABRA4, GABRA1, GABRA2 CHRM2 2710/4885CHRM4 937/4885CHRM5 2111/4885
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents GABRA4, GABRP, GABRA1 CHRM2 2566/4885CHRM4 1275/4885CHRM5 1826/4885
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents CYP4B1, CYP2B6, UGT2B7 CHRM2 665/4885CHRM4 447/4885CHRM5 445/4885

“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.