SCHEMBL10071231

SCHEMBL10071231

CC(=O)O/N=C1\CCC(c2ccc(C)c(Cl)c2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
ALDH1A1 P00352 3/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
MEN1 O00255 6/20 0.35
CYP3A4 P08684 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
ABCB1 P08183 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL10075505 0.91 SLC6A4 (0.44) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL10041961 0.91 SLC6A4 (0.44) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL10071230 0.83 MEN1 (0.40) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL10071834 0.77 MEN1 (0.42) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6809831 0.76 SLC6A2 (0.48) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL20340489 0.74 SLC6A2 (0.40) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL10041953 0.74 SLC6A2 (0.40) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL20436755 0.74 SLC6A2 (0.40) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL15491044 0.74 SLC6A2 (0.40) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL12609484 0.73 KDM4E (0.42) KMT2AALDH1A1MEN1CYP3A4CYP1A2

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-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 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-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 KMT2A 388/4885ALDH1A1 501/4885SLC6A2 374/4885

“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.