SCHEMBL9883145

SCHEMBL9883145

CCC(CN)c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
AOC3 Q16853 1/20 0.44
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL10311198 0.88 AOC3 (0.45) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL11077274 0.88 IDO1 (0.52) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL14415573 0.86 AOC3 (0.42) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL7538162 0.86 SLC6A2 (0.43) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL9880968 0.82 SLC6A2 (0.43) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL2628025 0.82 SLC6A2 (0.43) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL19003606 0.81 AOC3 (0.41) SLC6A2SLC6A4AOC3IDO1TDO2
SCHEMBL27715706 0.81 AOC3 (0.44) AOC3IDO1TAAR1
SCHEMBL11283326 0.81 SLC6A2 (0.47) SLC6A2SLC6A4AOC3TAAR1
SCHEMBL3884062 0.80 AOC3 (0.40) SLC6A2SLC6A4AOC3IDO1TDO2

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 3 patents. 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
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO 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 3/4885AOC3 1013/4885

“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.