SCHEMBL9880970

SCHEMBL9880970

CC(C)CC(CCN)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
ALOX5 P09917 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
SLC7A5 Q01650 1/20 0.37
POLB P06746 2/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
LTA4H P09960 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9883154 0.84 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ALOX5TAAR1
SCHEMBL131911 0.80 ALOX5 (0.37) ALOX5POLBTP53LMNATHRB
SCHEMBL7362430 0.76 TAAR1 (0.40) SLC6A2SLC6A4SLC6A3TAAR1LMNA
SCHEMBL17092626 0.75 HRH1 (0.46) SLC6A2SLC6A4SLC6A3ALOX5TAAR1
SCHEMBL19274402 0.75 ALOX5 (0.41) ALOX5POLBTP53LMNATHRB
SCHEMBL19830553 0.72 NPC1 (0.44) SLC6A2SLC6A4SLC6A3ALOX5POLB
SCHEMBL8107643 0.72 ALOX5 (0.39) SLC6A2SLC6A4SLC6A3ALOX5TAAR1
SCHEMBL5684870 0.72 NPC1 (0.51) SLC6A2SLC6A4SLC6A3ALOX5TAAR1
SCHEMBL1201233 0.72 NPC1 (0.51) SLC6A2SLC6A4SLC6A3ALOX5TAAR1
SCHEMBL355658 0.71

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.