SCHEMBL4940378

SCHEMBL4940378

Cn1ccc2ccc(-c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
KIF11 P52732 7/20 0.41
HTR6 P50406 1/20 0.40
HTR7 P34969 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BRD4 O60885 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL3995631 0.86 HTR7 (0.49) CYP2A6KIF11HTR7
SCHEMBL4944237 0.85 CYP2A6 (0.45) CYP2A6KIF11HTR6HSD11B1
SCHEMBL4945321 0.81 HTR7 (0.46) KIF11HTR6HTR7
SCHEMBL3861231 0.81 SCN5A (0.50) CYP2A6KIF11
SCHEMBL18029231 0.79 HTR6 (0.60) CYP2A6HTR6HSD11B1
SCHEMBL18029140 0.79 HSD11B1 (0.55) CYP2A6HTR6BRD4HSD11B1
SCHEMBL16205315 0.75 PRKCI (0.53) CYP2A6KIF11HTR7HSD11B1
SCHEMBL29599343 0.75 PRKCI (0.53) CYP2A6KIF11HTR7HSD11B1
SCHEMBL21237213 0.75 FAAH (0.46) CYP2A6HTR7
SCHEMBL16021150 0.75 HDAC6 (0.52) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2020-09-03 US disclosed
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 (4 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-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT PRDX1, KCNQ5, KCNQ1 CYP2A6 579/4885KIF11 3339/4885HTR6 3186/4885
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 CYP2A6 833/4885KIF11 2898/4885HTR6 577/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 CYP2A6 835/4885KIF11 2907/4885HTR6 566/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT CYP2A6 992/4885KIF11 2870/4885HTR6 291/4885

“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.