SCHEMBL3717754

SCHEMBL3717754

CN(c1ccc(Br)cc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
LSS P48449 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A4 P31645 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL4168246 0.90 MEN1 (0.43) ALDH1A1MEN1KMT2AHTTSLC6A4
SCHEMBL4173780 0.88 MEN1 (0.42) ALDH1A1MEN1KMT2AHTTSLC6A4
SCHEMBL5706202 0.88 MEN1 (0.42) ALDH1A1MEN1KMT2AHTTSLC6A4
SCHEMBL25353462 0.86 KDM1A (0.38) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL26011715 0.86 NMT1 (0.35) SLC6A4IRAK4
SCHEMBL25356320 0.85 KDM1A (0.37) MEN1KMT2APOLBHTTCHRM2
Hydrochloric Acid SCHEMBL25356942 0.85 NMT1 (0.34) MEN1KMT2APOLBHTTSLC6A4
Hydrochloric Acid SCHEMBL25354416 0.85 NMT1 (0.34) MEN1KMT2APOLBHTTSLC6A4
Methylamine SCHEMBL28000605 0.85 MEN1 (0.40) ALDH1A1MEN1KMT2AHTTSLC6A4
SCHEMBL25265331 0.84 POLB (0.40) LSSMEN1KMT2APOLBCHRM2

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
EP-2438049-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8703765-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-20120172357-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-05 US disclosed
WO-2010139673-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 WO 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 (1 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-20120172357-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP2A6 79/4885ALDH1A1 145/4885TAAR1 4042/4885

“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.