SCHEMBL3594017

SCHEMBL3594017

O=C1CN(C[C@@H]2OC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cc(F)cc(F)c2)CCN1c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
DRD4 P21917 6/20 0.35
HTR1A P08908 5/20 0.35
HTR2A P28223 5/20 0.35
HTR2C P28335 5/20 0.35
HTR7 P34969 5/20 0.35
DRD3 P35462 4/20 0.35
DRD2 P14416 4/20 0.35
DPP4 P27487 1/20 0.34
F10 P00742 2/20 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
SCHEMBL3597336 0.88 DRD4 (0.44) ALDH1A1KDM4ESMN1; SMN2GAAPOLB
SCHEMBL14161890 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EL3MBTL1SMN1; SMN2GAA
SCHEMBL3591630 0.84 F10 (0.34) ALDH1A1SMN1; SMN2DRD3DRD2F10
SCHEMBL3591483 0.82 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2TSHRHSD17B10
SCHEMBL3593359 0.79 DRD2 (0.41) ALDH1A1KDM4EPOLBDRD4DRD3
SCHEMBL3599941 0.77 MAPT (0.39) ALDH1A1SMN1; SMN2DRD4DRD2F10
SCHEMBL3583528 0.77 MEN1 (0.44) HTR1AHTR2ADRD3DRD2
SCHEMBL3589136 0.75 SLC6A2 (0.36) ALDH1A1L3MBTL1DRD4HTR1AHTR2A
SCHEMBL3589823 0.75 CNR1 (0.42) ALDH1A1HPGDMDM2
SCHEMBL3586282 0.75 GRM5 (0.37) ALDH1A1KDM4ESMN1; SMN2HPGDDRD4

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 ALDH1A1 2743/4885KDM4E 1763/4885L3MBTL1 4596/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885KDM4E 1763/4885L3MBTL1 4596/4885

“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.