SCHEMBL16903333

SCHEMBL16903333

CN1CCC(O)C(C)(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRD1 P41143 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCF1 P14598 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
QDPR P09417 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 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
SCHEMBL22306166 0.79 ATM (0.34) ALDH1A1L3MBTL1MAPK1SMN1; SMN2NCF1
SCHEMBL8966743 0.79 ATM (0.34) ALDH1A1L3MBTL1MAPK1SMN1; SMN2NCF1
SCHEMBL22306162 0.79 ATM (0.34) ALDH1A1L3MBTL1MAPK1SMN1; SMN2NCF1
SCHEMBL18388005 0.76
SCHEMBL16903337 0.76 NCF1 (0.32) NCF1KMT2A
SCHEMBL16903340 0.75 NCF1 (0.33) NCF1KMT2A
SCHEMBL18903236 0.71 NCF1 (0.32) NCF1
SCHEMBL26088608 0.68
SCHEMBL13625216 0.68
SCHEMBL24734693 0.68 ALDH1A1 (0.34) ALDH1A1L3MBTL1MAPK1SMN1; SMN2NCF1

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
WO-2023196720-A2 LRRK2 INHIBITORS Brenig Therapeutics, Inc. (US) 2023-10-12 WO disclosed
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
US-9181288-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 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 (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-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 ALDH1A1 2038/4885L3MBTL1 4465/4885OPRD1 2937/4885
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 ALDH1A1 2038/4885L3MBTL1 4465/4885OPRD1 2937/4885

“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.