SCHEMBL116573

SCHEMBL116573

O=C(O)NCC(C(=O)Nc1cccc2cnccc12)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.63
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GALR3 O60755 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NR2F2 P24468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8513508 0.86 TRPV1 (0.65) TRPV1HTTMEN1MAPK1BLM
SCHEMBL116716 0.86 TRPV1 (0.55) TRPV1
Hydrochloric Acid SCHEMBL116218 0.85 TRPV1 (0.64) TRPV1HTTMEN1MAPK1BLM
SCHEMBL117772 0.80 TRPV1 (0.70) TRPV1HTTMEN1MAPK1BLM
SCHEMBL21127838 0.78 TRPV1 (0.81) TRPV1
SCHEMBL4026073 0.77 TRPV1 (1.00) TRPV1HTTMEN1MAPK1BLM
SCHEMBL30114438 0.77 TRPV1 (0.64) TRPV1HTTMEN1MAPK1BLM
SCHEMBL4023786 0.77 TRPV1 (0.64) TRPV1HTTMEN1MAPK1BLM
SCHEMBL6582014 0.77 TRPV1 (0.65) TRPV1
SCHEMBL15478234 0.77 TRPV1 (0.65) TRPV1HTTMEN1MAPK1BLM

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 4 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
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP 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 3131/4885HTT 1067/4885MEN1 2702/4885

“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.