SCHEMBL8513508

SCHEMBL8513508

NCC(C(=O)Nc1cccc2cnccc12)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.65
ROCK2 O75116 7/20 0.61
ROCK1 Q13464 1/20 0.61
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52

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 SCHEMBL116218 0.99 TRPV1 (0.64) TRPV1ROCK2ROCK1MEN1MAPK1
SCHEMBL116573 0.86 TRPV1 (0.63) TRPV1MEN1MAPK1HTTBLM
SCHEMBL117772 0.81 TRPV1 (0.70) TRPV1MEN1MAPK1HTTBLM
SCHEMBL21127838 0.80 TRPV1 (0.81) TRPV1ROCK2ROCK1
SCHEMBL116716 0.79 TRPV1 (0.55) TRPV1
SCHEMBL4026073 0.79 TRPV1 (1.00) TRPV1MEN1MAPK1HTTBLM
SCHEMBL15478234 0.79 TRPV1 (0.65) TRPV1MEN1MAPK1HTTBLM
SCHEMBL30544195 0.78 KDM4E (0.67) TRPV1ROCK1MEN1MAPK1HTT
SCHEMBL2315592 0.78 KDM4E (0.67) TRPV1ROCK1MEN1MAPK1HTT
SCHEMBL5660097 0.77 TRPV1 (0.71) TRPV1

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 TRPV1 3131/4885ROCK2 2/4885ROCK1 6/4885

“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.