SCHEMBL4417178

SCHEMBL4417178

O=C(Nc1ccc(C(F)(F)F)cc1)C1=C(O)[C@@H]2CNC[C@H]2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
P2RX1 P51575 1/20 0.41
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
PTGS1 P23219 2/20 0.40
EPHX2 P34913 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL4417184 1.00 TRPV1 (0.43) TRPV1NPC1RAB9AP2RX1P2RX4
SCHEMBL4417190 1.00 TRPV1 (0.43) TRPV1NPC1RAB9AP2RX1P2RX4
SCHEMBL4415294 0.90 TRPV1 (0.41) TRPV1
SCHEMBL13597896 0.90 TRPV1 (0.41) TRPV1NPC1RAB9A
SCHEMBL13602093 0.85 HTR2A (0.42) NPC1RAB9AHTR2AHTR2CHTR2B
SCHEMBL13598079 0.84 RXFP1 (0.48) TRPV1NPC1RAB9APTGS1EPHX2
SCHEMBL4421045 0.84 RXFP1 (0.46) TRPV1NPC1RAB9APTGS1EPHX2
SCHEMBL4421044 0.84 RXFP1 (0.46) TRPV1NPC1RAB9APTGS1EPHX2
SCHEMBL4421046 0.84 RXFP1 (0.46) TRPV1NPC1RAB9APTGS1EPHX2
SCHEMBL4413821 0.84 SLC6A3 (0.42)

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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 TRPV1 1897/4885NPC1 163/4885RAB9A 2428/4885

“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.