SCHEMBL21164657

SCHEMBL21164657

COc1cc(N2CCCC2C)ccc1C=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.43
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
AR P10275 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A3 P47895 1/20 0.39
PDK2 Q15119 1/20 0.39
CHRM4 P08173 1/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14940936 0.96 ALDH1A1 (0.64) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL20500920 0.85 AR (0.45) ALDH1A1NPC1POLBRAB9AAR
SCHEMBL20490864 0.85 AR (0.45) ALDH1A1NPC1POLBRAB9AAR
SCHEMBL14941772 0.85 ALDH1A1 (0.62) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL6236056 0.79 CHRM4 (0.49) ALDH1A1POLBRAB9AMAPTTSHR
SCHEMBL23636917 0.77 ALDH1A1 (1.00) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL13651289 0.76 AR (0.50) MAPTARCHRM4
SCHEMBL14940383 0.76 ALDH1A1 (0.97) ALDH1A1NPC1POLBRAB9AMAPT
SCHEMBL14941705 0.75 TRIM24 (0.52) ALDH1A1ARKDM4EKMT2AALDH1A3
SCHEMBL24988474 0.73 AR (0.43) ALDH1A1MAPTARKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210386734-A1 DUAL MAGL AND FAAH INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. 2021-12-16 US disclosed
US-11129827-B2 Dual MAGL and FAAH inhibitors ABIDE THERAPEUTICS, INC. (US) 2021-09-28 US disclosed
US-20190282568-A1 DUAL MAGL AND FAAH INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. 2019-09-19 US disclosed
US-10350205-B2 Dual MAGL and FAAH inhibitors ABIDE THERAPEUTICS, INC. (US) 2019-07-16 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 (4 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-11129827-B2 Dual MAGL and FAAH inhibitors FAAH, FAAH2, MAG ALDH1A1 1891/4885NPC1 1227/4885POLB 3776/4885
US-20190282568-A1 DUAL MAGL AND FAAH INHIBITORS FAAH, FAAH2, MAG ALDH1A1 1891/4885NPC1 1227/4885POLB 3776/4885
US-10350205-B2 Dual MAGL and FAAH inhibitors FAAH, FAAH2, MAG ALDH1A1 1891/4885NPC1 1227/4885POLB 3776/4885
US-20210386734-A1 DUAL MAGL AND FAAH INHIBITORS FAAH, FAAH2, MAG ALDH1A1 1891/4885NPC1 1227/4885POLB 3776/4885

“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.