SCHEMBL12609752

SCHEMBL12609752

Nc1ccc(C2CN(C(=O)O)CCO2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.41
USP30 Q70CQ3 2/20 0.37
LRRK2 Q5S007 1/20 0.37
PDE2A O00408 4/20 0.34
RAB9A P51151 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL12609991 1.00 DRD3 (0.41) DRD3USP30LRRK2PDE2ARAB9A
SCHEMBL14150776 1.00 DRD3 (0.41) DRD3USP30LRRK2PDE2ARAB9A
SCHEMBL12609669 0.85 DRD3 (0.44) DRD3USP30PDE2A
SCHEMBL14150820 0.85 DRD3 (0.41) DRD3USP30PDE2A
SCHEMBL14151249 0.85 DRD3 (0.41) DRD3USP30PDE2A
SCHEMBL12609797 0.85 DRD3 (0.44) DRD3USP30PDE2A
SCHEMBL16986594 0.85 DRD3 (0.41) DRD3USP30PDE2A
SCHEMBL18421080 0.85 DRD3 (0.41) DRD3USP30PDE2A
SCHEMBL12609982 0.85 PDE2A (0.45) DRD3USP30PDE2A
SCHEMBL12609983 0.85 PDE2A (0.45) DRD3USP30PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688870-B1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-02-01 EP disclosed
US-9181230-B2 Morpholine compounds and uses thereof HOFFMANN-LA ROCHE INC. (US) 2015-11-10 US disclosed
EP-2718271-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-08-12 EP disclosed
US-9029370-B2 Substituted benzamide derivatives HOFFMANN-LA ROCHE INC. (US) 2015-05-12 US disclosed
US-20150045359-A1 MORPHOLINE COMPOUNDS AND USES THEREOF HOFFMANN-LA ROCHE INC. (US) 2015-02-12 US disclosed
EP-2802578-A1 HETEROCYCLIC DERIVATIVES AS TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F.HOFFMANN-LA ROCHE AG (CH) 2014-11-19 EP disclosed
US-8802673-B2 Heterocyclic amine derivatives Hoffmann-La Roche Inc (US) 2014-08-12 US disclosed
EP-2718271-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
EP-2688870-A1 HETEROCYCLIC AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 EP disclosed
WO-2013104591-A1 HETEROCYCLIC DERIVATIVES AS TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
WO-2012168265-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-12-13 US disclosed
WO-2012126922-A1 HETEROCYCLIC AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
US-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-09-27 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-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES TAAR1, TAAR5, MTNR1A DRD3 583/4885USP30 4358/4885LRRK2 352/4885
US-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES NPY4R, PER2, NPY1R DRD3 164/4885USP30 4247/4885LRRK2 575/4885
US-20150045359-A1 MORPHOLINE COMPOUNDS AND USES THEREOF TAAR1, TAAR5, AGTR1 DRD3 2259/4885USP30 3606/4885LRRK2 1454/4885

“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.