SCHEMBL8512149

SCHEMBL8512149

NC(CNC(=O)c1cccc2cnccc12)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.48
TRPV1 Q8NER1 6/20 0.47
HDAC2 Q92769 1/20 0.45
PREP P48147 2/20 0.45
DPP7 Q9UHL4 1/20 0.45
DGAT2 Q96PD7 2/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 2/20 0.43
POLB P06746 1/20 0.42
P2RX7 Q99572 1/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PIM1 P11309 1/20 0.41
BAD Q92934 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
Hydrochloric Acid SCHEMBL116894 0.99 KCNA5 (0.47) KCNA5TRPV1HDAC2PREPDPP7
SCHEMBL20180732 0.78 CYP3A4 (0.50) TRPV1HDAC2PREPDPP7DGAT2
SCHEMBL116779 0.77 KCNA5 (0.49) KCNA5TRPV1DGAT2
SCHEMBL21523087 0.75 EPHX2 (0.65) MEN1KMT2A
SCHEMBL21523088 0.75 EPHX2 (0.65) MEN1KMT2A
SCHEMBL17737445 0.74 DEGS1 (0.56) MEN1MAPK1HTTBLMKMT2A
SCHEMBL117035 0.74 PRKCG (0.62) KCNA5P2RX7MEN1MAPK1KMT2A
SCHEMBL5262202 0.73 TRPV1 (0.45) TRPV1HDAC2PREPDPP7DGAT2
Hydrochloric Acid SCHEMBL117220 0.73 LMNA (0.63) KCNA5P2RX7MEN1MAPK1KMT2A
SCHEMBL10245899 0.73 HTT (0.59) TRPV1PREPDPP7DGAT2CNR1

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 5 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
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
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 KCNA5 4028/4885TRPV1 3131/4885HDAC2 691/4885

“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.