SCHEMBL4943775

SCHEMBL4943775

CCC(CC)Cn1ccc2cc(-c3ccc(OC(F)(F)F)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
SERPINE1 P05121 4/20 0.44
HTR2C P28335 5/20 0.43
SCN5A Q14524 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
ERBB2 P04626 1/20 0.39
HTR2A P28223 4/20 0.39
NR1D1 P20393 1/20 0.37
FAAH O00519 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PHKG2 P15735 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MARK3 P27448 1/20 0.35
PRKCI P41743 1/20 0.35
CLK2 P49760 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35

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
SCHEMBL3858759 0.79 SERPINE1 (0.36) SERPINE1SCN5ANR1D1CA12CA9
SCHEMBL3360192 0.77 HTR2C (0.48) SCN9AHTR2CERBB2HTR2A
SCHEMBL4943218 0.77 SERPINE1 (0.46) SCN9ASERPINE1ERBB2
SCHEMBL4942424 0.77 TRPV1 (0.48) SCN9ASERPINE1HTR2CSCN5ATRPV1
SCHEMBL3858095 0.77 SERPINE1 (0.57) SERPINE1SCN5ATRPV1ERBB2
SCHEMBL4939166 0.76 SCN9A (0.50) SCN9ASERPINE1SCN5AERBB2
SCHEMBL4940424 0.75 SERPINE1 (0.59) SCN9ASERPINE1TRPV1ERBB2
SCHEMBL4822262 0.74 SERPINE1 (0.45) SCN9ASERPINE1TRPV1
SCHEMBL23956079 0.72 HTR2C (0.51) HTR2CTRPV1HTR2A
SCHEMBL23956076 0.72 HTR2C (0.51) HTR2CTRPV1HTR2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 US disclosed
US-7368471-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-05-06 US disclosed
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed
EP-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP disclosed
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-27 US disclosed
US-7074817-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-11 US disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 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 (3 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-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 SCN9A 2457/4885SERPINE1 1/4885HTR2C 1298/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 SCN9A 2449/4885SERPINE1 1/4885HTR2C 1292/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT SCN9A 2754/4885SERPINE1 2/4885HTR2C 564/4885

“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.