SCHEMBL3590549

SCHEMBL3590549

O=C1O[C@@H](CN2CCN(CC3CCCO3)CC2)[C@H](c2cccc(F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 11/20 0.37
CYP1A2 P05177 9/20 0.37
CYP3A4 P08684 8/20 0.37
USP2 O75604 7/20 0.37
CASP1 P29466 6/20 0.37
CYP2C9 P11712 6/20 0.37
HIF1A Q16665 5/20 0.37
CASP7 P55210 5/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP2C19 P33261 3/20 0.37
TSHR P16473 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.35
GLA P06280 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HRH1 P35367 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL3582452 0.90 NPSR1 (0.40) NPSR1ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL15182155 0.88 TSHR (0.38) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL3589368 0.88 KMT2A (0.41) ALDH1A1TSHRLMNAGLAMAPK1
SCHEMBL3592459 0.88 KMT2A (0.38) ALDH1A1CYP1A2CYP3A4CASP1CYP2C9
SCHEMBL3593362 0.87 KDM4E (0.39) NPSR1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL3595202 0.87 KMT2A (0.38) ALDH1A1TSHRHRH3KMT2A
SCHEMBL4439801 0.87 KMT2A (0.38) ALDH1A1TSHRHRH3KMT2A
SCHEMBL3594498 0.85 LTA4H (0.39) TSHRKMT2APARP10
SCHEMBL3583328 0.85 KMT2A (0.38) ALDH1A1TSHRMEN1KMT2APARP10
SCHEMBL3596723 0.83 TSHR (0.35) TSHRKMT2APARP10

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 15 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 claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
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-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-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
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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 NPSR1 92/4885ALDH1A1 2743/4885CYP1A2 1653/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPSR1 92/4885ALDH1A1 2743/4885CYP1A2 1653/4885

“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.