SCHEMBL3592663

SCHEMBL3592663

COc1cccc([C@H]2[C@H](Cn3cc(C(=O)O)nn3)OC(=O)N2c2ccc(Cl)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.36
TNKS O95271 3/20 0.36
NR1H2 P55055 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
HSD11B1 P28845 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
CACNA1D Q01668 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
SCHEMBL3588264 0.93 ALDH1A1 (0.39) ALDH1A1GPBAR1TNKSNR1H2CNR1
SCHEMBL3581220 0.91 POLB (0.43) ALDH1A1CYP2C9GPBAR1TP53MAPT
SCHEMBL13168052 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AGPBAR1TNKSMAPT
SCHEMBL3585837 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGPBAR1TNKS
SCHEMBL3582559 0.84 ALDH1A1 (0.38) ALDH1A1TNKSTP53HSD11B1
SCHEMBL3594417 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL3588051 0.84 ALDH1A1 (0.41) ALDH1A1CYP2C9TNKSMAPT
SCHEMBL3593715 0.84 NR3C2 (0.38) ALDH1A1MAPTSMN1; SMN2CACNA1D
SCHEMBL3592920 0.84 ALDH1A1 (0.40) ALDH1A1KMT2ANR1H2
SCHEMBL3589613 0.83 ALDH1A1 (0.38) ALDH1A1GPBAR1TNKSHSD11B1

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 12 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-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 ALDH1A1 2743/4885MEN1 2896/4885CYP2C9 1295/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885MEN1 2896/4885CYP2C9 1295/4885

“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.