SCHEMBL9883154

SCHEMBL9883154

CCC(CCN)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 2/20 0.42
TAAR1 Q96RJ0 1/20 0.38
SLC7A5 Q01650 1/20 0.38
ALOX5 P09917 1/20 0.37
LTA4H P09960 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KEAP1 Q14145 1/20 0.33
HRH1 P35367 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 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
SCHEMBL8107643 0.85 ALOX5 (0.39) SLC6A2SLC6A4SLC6A3TAAR1SLC7A5
SCHEMBL439568 0.85 TAS1R3 (0.36) SLC6A2SLC6A4SLC6A3ALOX5NPC1
SCHEMBL2880798 0.84 ALOX5 (0.39) SLC6A2SLC6A4SLC6A3ALOX5NPC1
SCHEMBL9880970 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TAAR1SLC7A5
SCHEMBL17787300 0.81 ALOX5 (0.37) SLC6A2SLC6A4SLC6A3ALOX5NPC1
SCHEMBL2887376 0.81 KDM4E (0.44) ALOX5NPC1RAB9AKMT2ACES2
SCHEMBL598926 0.80 KDM4E (0.40) SLC7A5ALOX5NPC1RAB9AKMT2A
SCHEMBL1422000 0.79 NR1I2 (0.42) SLC7A5L3MBTL1
SCHEMBL2494816 0.79 NR1I2 (0.42) SLC7A5L3MBTL1
SCHEMBL2888749 0.79 NR1I2 (0.42) SLC7A5L3MBTL1

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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 15/4885

“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.