SCHEMBL3579260

SCHEMBL3579260

CC(=O)N[C](c1ccccc1)n1ccnn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.39
CYP1A1 P04798 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PLOD2 O00469 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 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
SCHEMBL21816275 0.75 F2 (0.46) CYP19A1CYP1A1L3MBTL1ALDH1A1MAPT
Bicarbonate SCHEMBL15511343 0.74 F2 (0.45) CYP19A1CYP1A1L3MBTL1ALDH1A1MAPT
SCHEMBL7098108 0.71 CYP19A1 (0.42) CYP19A1CYP1A1
SCHEMBL28575687 0.69 CYP19A1 (0.38) CYP19A1CYP1A1L3MBTL1ALDH1A1MAPT
SCHEMBL28938166 0.68 CYP19A1 (0.41) CYP19A1CYP1A1
SCHEMBL876240 0.68
SCHEMBL6289489 0.68 TAAR1 (0.44) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL11118234 0.68 CYP19A1 (0.40) CYP19A1CYP1A1KDM4ECES2CES1
SCHEMBL11118231 0.68 CYP19A1 (0.40) CYP19A1CYP1A1KDM4ECES2CES1
SCHEMBL9694235 0.68 RAB9A (0.43) CYP19A1CYP1A1ALDH1A1MAPTRAB9A

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 5 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
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-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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 (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 CYP19A1 1403/4885CYP1A1 726/4885L3MBTL1 4596/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CYP19A1 1403/4885CYP1A1 726/4885L3MBTL1 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.