SCHEMBL17099418

SCHEMBL17099418

O=C(O)C1CCN(Cc2ccc3c(c2)OC(F)(F)O3)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.54
DRD4 P21917 1/20 0.52
S1PR5 Q9H228 8/20 0.50
S1PR4 O95977 2/20 0.50
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 2/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
LTA4H P09960 3/20 0.49
MCHR1 Q99705 2/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL17099351 0.88 S1PR5 (0.53) S1PR5S1PR4S1PR1S1PR3LTA4H
SCHEMBL17055904 0.78 KDM4E (0.54) FAAHDRD4CHRM2CHRM1CYP2D6
SCHEMBL17099356 0.78 SSTR5 (0.51) S1PR5S1PR4S1PR1S1PR3LTA4H
SCHEMBL2592454 0.78 FAAH (0.71) FAAHDRD4MCHR1KCNH2CYP2D6
SCHEMBL16480155 0.77 HRH3 (0.53) FAAHDRD4CHRM2CHRM1MCHR1
SCHEMBL6332041 0.77 FAAH (0.52) FAAHDRD4CHRM2CHRM1LTA4H
SCHEMBL3748338 0.76 FAAH (0.58) FAAHDRD4CHRM2CHRM1MCHR1
Hydrochloric Acid SCHEMBL6329363 0.76 FAAH (0.51) FAAHDRD4CHRM2CHRM1LTA4H
SCHEMBL16477331 0.74 MCHR1 (0.50) FAAHDRD4CHRM2CHRM1MCHR1
SCHEMBL16695229 0.74 S1PR5 (0.65) S1PR5S1PR4S1PR1S1PR3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 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-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A FAAH 407/4885DRD4 2959/4885S1PR5 2295/4885

“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.