SCHEMBL12017482

SCHEMBL12017482

CNCc1ccccc1Cc1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.41
SLC6A2 P23975 9/20 0.41
SLC6A3 Q01959 9/20 0.41
PKM P14618 2/20 0.35
LTA4H P09960 1/20 0.35
HTR2A P28223 3/20 0.33
IFNAR1 P17181 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12017477 0.80 AR (0.46) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL12017485 0.79 MCL1 (0.52) SLC6A4SLC6A2SLC6A3PKMHTR2A
SCHEMBL3145757 0.76 HSPA5 (0.52) PKMMAPT
SCHEMBL12017473 0.76 PARP1 (0.40) SLC6A4SLC6A2SLC6A3KDM4ECYP3A4
SCHEMBL5816301 0.76 C1R (0.38)
SCHEMBL9057228 0.76 AR (0.43) CYP3A4ALDH1A1
SCHEMBL7822927 0.76 TAAR1 (0.41) MEN1KMT2A
SCHEMBL1680621 0.76
SCHEMBL12017487 0.75 LTA4H (0.44) SLC6A4SLC6A2SLC6A3PKMLTA4H
SCHEMBL3149895 0.75 AR (0.47) KDM4EMAPTALDH1A1KCNH2

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-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 SLC6A4 94/4885SLC6A2 40/4885SLC6A3 73/4885

“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.