SCHEMBL3592229

SCHEMBL3592229

COc1cccc([C@H]2[C@H](CN3CCN(c4ccc(OC)nc4)C(=O)C3)OC(=O)N2c2ccc(Cl)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.37
PGGT1B P53609 2/20 0.37
FNTB P49356 1/20 0.37
P2RX7 Q99572 2/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
GRM5 P41594 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
AVPR1B P47901 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.34
DPP4 P27487 1/20 0.34
MDM2 Q00987 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 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
SCHEMBL15182046 0.90 MAPT (0.36) FNTAPGGT1BFNTBMAPTMAPK1
SCHEMBL3586282 0.88 GRM5 (0.37) FNTAPGGT1BFNTBMAPTMAPK1
SCHEMBL15182372 0.83 GRM5 (0.36) FNTAPGGT1BFNTBMAPTMAPK1
SCHEMBL3588686 0.81 KDM4E (0.46) MAPTMAPK1DRD2DRD3ALDH1A1
SCHEMBL15182313 0.80 CHRNA7 (0.48) MAPTMAPK1DRD2DRD3KCNH2
SCHEMBL3591207 0.80 ALDH1A1 (0.40) MAPTMAPK1DRD2DRD3KCNH2
SCHEMBL3593753 0.80 TSHR (0.42) MAPTMAPK1DRD2ALDH1A1KDM4E
SCHEMBL3602204 0.79 HTR2A (0.49) MAPTMAPK1DRD2DRD3ALDH1A1
SCHEMBL3596801 0.78 DRD4 (0.40) MAPTMAPK1DRD2KCNH2ALDH1A1
SCHEMBL3594104 0.78 ALDH1A1 (0.39) MAPTMAPK1DRD2ALDH1A1KDM4E

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
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-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
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 FNTA 1242/4885PGGT1B 90/4885FNTB 2044/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH FNTA 1242/4885PGGT1B 90/4885FNTB 2044/4885

“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.