SCHEMBL14945680

SCHEMBL14945680

Cn1ccc2ccc(COC=O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.53
FAAH O00519 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PRKCI P41743 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CHRNA7 P36544 1/20 0.33
MCHR1 Q99705 1/20 0.32
KLKB1 P03952 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MAPT P10636 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PIK3CB P42338 1/20 0.32
GPR183 P32249 1/20 0.32

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
SCHEMBL6945456 0.80 CYP2A6 (0.46) CYP2A6FAAHL3MBTL1PRKCICHRNA7
SCHEMBL6947442 0.77 CYP3A4 (0.47) CYP2A6FAAHL3MBTL1CHRNA7KLKB1
Ethoxycarbonyl Group SCHEMBL27570410 0.75 CYP2A6 (0.49) CYP2A6L3MBTL1MCHR1MAPTHTR7
SCHEMBL8303438 0.74 CYP2A6 (0.50) CYP2A6FAAHL3MBTL1PRKCIMAPT
SCHEMBL25185804 0.73 CYP2A6 (0.49) CYP2A6FAAHL3MBTL1PRKCIMCHR1
SCHEMBL111470 0.73 CYP2A6 (0.49) CYP2A6FAAHL3MBTL1PRKCIMCHR1
SCHEMBL14473327 0.73 CYP2A6 (0.49) CYP2A6FAAHL3MBTL1PRKCIMCHR1
SCHEMBL6583538 0.73 CYP2A6 (0.49) CYP2A6FAAHL3MBTL1PRKCICHRNA7
SCHEMBL28170416 0.72 CYP2A6 (0.49) CYP2A6FAAHL3MBTL1PRKCICHRNA7
Hydrochloric Acid SCHEMBL27898641 0.71 CYP2A6 (0.47) CYP2A6FAAHL3MBTL1PRKCICHRNA7

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
CN-113564623-A Method for preparing isatin compound by electrochemically oxidizing N-substituted indole derivative 福建师范大学 2021-10-29 CN claimed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 (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-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CYP2A6 1034/4885FAAH 507/4885L3MBTL1 2864/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CYP2A6 1034/4885FAAH 507/4885L3MBTL1 2864/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CYP2A6 1034/4885FAAH 507/4885L3MBTL1 2864/4885

“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.