SCHEMBL3586963

SCHEMBL3586963

O=C1O[C@@H](CO)[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TRPM4 Q8TD43 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
PLAU P00749 1/20 0.39
PLAUR Q03405 1/20 0.39
CNR1 P21554 1/20 0.38
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.36
MDM2 Q00987 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
FADS1 O60427 1/20 0.35

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
SCHEMBL3589683 0.94 POLB (0.39) ALOX15TRPM4TRPM5RXFP1PLAU
SCHEMBL3591782 0.94 POLB (0.39) ALOX15TRPM4TRPM5RXFP1PLAU
SCHEMBL3580371 0.89 TRPM4 (0.37) TRPM4TRPM5CNR1MDM2FADS1
SCHEMBL15181621 0.88 RXFP1 (0.39) ALOX15RXFP1PLAUPLAURCNR1
SCHEMBL3582084 0.85 HTT (0.42) MEN1KMT2A
SCHEMBL3587574 0.84 POLB (0.40) ALOX15RXFP1PLAUPLAURTSHR
SCHEMBL3592078 0.83 HSD11B1 (0.43) CNR1POLBMEN1KMT2A
SCHEMBL3592419 0.83 ALDH1A1 (0.34) TRPM4TRPM5MDM2FADS1
SCHEMBL15181619 0.83 POLB (0.41) RXFP1PLAUPLAURTSHRPOLB
SCHEMBL3585421 0.83 POLB (0.39) PLAUPLAURTSHRPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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 (2 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALOX15 563/4885TRPM4 161/4885TRPM5 81/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALOX15 563/4885TRPM4 161/4885TRPM5 81/4885

“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.