SCHEMBL12397692

SCHEMBL12397692

Cc1ccc(C(CCC#N)c2c[nH]c3c(NS(C)(=O)=O)cccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.42
PGR P06401 10/20 0.42
NR3C2 P08235 10/20 0.42
AR P10275 10/20 0.42
PLA2G7 Q13093 4/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 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
SCHEMBL12397695 0.95 NR3C1 (0.41) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397830 0.91 MGAM (0.36) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL7950082 0.89 NR3C1 (0.42) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397820 0.87 NR3C1 (0.41) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397801 0.87 NR3C1 (0.42) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397686 0.87 NR3C1 (0.47) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397805 0.86 NR3C1 (0.44) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397797 0.86 NR3C1 (0.43) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397828 0.85 NR3C1 (0.38) NR3C1PGRNR3C2ARMGAM
SCHEMBL12397748 0.85 NR3C1 (0.43) NR3C1PGRNR3C2ARPLA2G7

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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof HTR3C, HTR3A, ADRB3 NR3C1 2099/4885PGR 4721/4885NR3C2 735/4885

“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.