SCHEMBL17099356

SCHEMBL17099356

CC1(C)Cc2cc(CN3CCC(C(=O)O)C3)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.51
S1PR5 Q9H228 7/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
LTA4H P09960 5/20 0.47
HTR2A P28223 1/20 0.44
OPRM1 P35372 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41

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 0.83 S1PR5 (0.53) S1PR5S1PR4S1PR1S1PR3LTA4H
SCHEMBL17108217 0.79 KDM4E (0.51) KDM4E
SCHEMBL17099418 0.78 FAAH (0.54) S1PR5S1PR4S1PR1S1PR3LTA4H
SCHEMBL17316361 0.73 SSTR5 (0.46) SSTR5HTR2AALDH1A1KDM4E
SCHEMBL18117051 0.73 S1PR5 (0.71) S1PR5S1PR4S1PR1S1PR3LTA4H
SCHEMBL28669075 0.72 S1PR5 (0.48) S1PR5S1PR4S1PR1S1PR3LTA4H
SCHEMBL16695229 0.71 S1PR5 (0.65) S1PR5S1PR4S1PR1S1PR3LTA4H
SCHEMBL4795270 0.71 S1PR5 (0.62) S1PR5S1PR4S1PR1S1PR3LTA4H
SCHEMBL4795273 0.71 S1PR5 (0.62) S1PR5S1PR4S1PR1S1PR3LTA4H
SCHEMBL16301219 0.71 S1PR5 (0.77) 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 SSTR5 2070/4885S1PR5 2295/4885S1PR4 2831/4885

“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.