SCHEMBL14476025

SCHEMBL14476025

OCc1ccc2c(n1)OCCN2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
CCR1 P32246 1/20 0.37
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHFR P00374 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL20870315 0.83 GRM5 (0.48) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL14358239 0.83 GRM5 (0.48) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL1825269 0.77 GRM5 (0.43) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL22048899 0.74 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL852827 0.74 GRM5 (0.51) GRM5CCR1ALDH1A1GAAMAPT
SCHEMBL382392 0.74 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL14476045 0.73 GRM5 (0.39) GRM5CCR1ALDH1A1GAAMAPT
SCHEMBL30309207 0.72 GRM5 (0.47) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL19859465 0.72 GRM5 (0.50) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL2437595 0.72 NOTUM (0.43) GRM5CCR1ALDH1A1GAAMAPT

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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD GRM5 4209/4885CCR1 954/4885ALDH1A1 802/4885

“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.