SCHEMBL2117362

SCHEMBL2117362

CCOC(=O)c1nc(N)cn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
F2RL3 Q96RI0 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
P2RX7 Q99572 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL29339719 0.86 ALDH1A1 (0.53) MAPK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL10068017 0.86 CYP1A2 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL28710883 0.80 ALDH1A1 (0.47) MAPK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL24897834 0.78 ALDH1A1 (0.40) MAPK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL1079497 0.78 ALDH1A1 (0.40) ALDH1A1LMNAKDM4ETSHRGAA
Hydrochloric Acid SCHEMBL30991628 0.77 ALDH1A1 (0.41) MAPK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL16862955 0.76 ALDH1A1 (0.60) MAPK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL1593910 0.76 SMN1; SMN2 (0.55) MAPK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL5115630 0.75 SMN1; SMN2 (0.52) MAPK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL1594682 0.75 LMNA (0.45) ALDH1A1LMNAKDM4EMAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
EP-1999132-B1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2012-07-18 EP disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US 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 (3 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-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity CNR1, CNR2, ITPR2 MAPK1 761/4885ALDH1A1 783/4885LMNA 4194/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPK1 555/4885ALDH1A1 2743/4885LMNA 2549/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPK1 555/4885ALDH1A1 2743/4885LMNA 2549/4885

“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.