SCHEMBL3582709

SCHEMBL3582709

COc1ccc(N2C(=O)OC[C@@H]2c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 2/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
POLB P06746 1/20 0.42
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL3582713 1.00 LMNA (0.45) LMNACYP2C19ALDH1A1L3MBTL1KMT2A
SCHEMBL3584778 0.86 HDAC1 (0.41) LMNACYP2C19KMT2AHDAC1HDAC8
SCHEMBL3584776 0.86 HDAC1 (0.41) LMNACYP2C19KMT2AHDAC1HDAC8
SCHEMBL3587143 0.85 HDAC1 (0.45) LMNAALDH1A1HDAC1HDAC8HDAC6
SCHEMBL3587147 0.85 HDAC1 (0.45) LMNAALDH1A1HDAC1HDAC8HDAC6
SCHEMBL3585880 0.85 HDAC1 (0.45) LMNAALDH1A1KMT2AHDAC1HDAC8
SCHEMBL3585878 0.85 HDAC1 (0.45) LMNAALDH1A1KMT2AHDAC1HDAC8
SCHEMBL27360882 0.82 GFER (0.53) LMNAALDH1A1L3MBTL1KMT2AHDAC1
SCHEMBL13167938 0.81 HDAC1 (0.46) LMNAALDH1A1HDAC1HDAC8HDAC6
SCHEMBL3590524 0.80 HDAC1 (0.39) HDAC1HDAC8HDAC6NPBWR1MCHR1

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 10 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
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 LMNA 2549/4885CYP2C19 1077/4885ALDH1A1 2743/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH LMNA 2549/4885CYP2C19 1077/4885ALDH1A1 2743/4885

“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.