SCHEMBL2124677

SCHEMBL2124677

CC(C)(C)OC(=O)N1C2CCC1([C@H](NC(=O)OCc1ccccc1)c1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.52
CYP2C9 P11712 17/20 0.52
CYP2C19 P33261 16/20 0.52
TSHR P16473 12/20 0.52
ALDH1A1 P00352 12/20 0.52
LMNA P02545 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 13/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CASP1 P29466 2/20 0.50
CYP2D6 P10635 13/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
SYK P43405 1/20 0.45

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
SCHEMBL2124675 1.00 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL2605314 0.88 SYK (0.47) CYP3A4CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL3711814 0.87 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL2605318 0.83 SLC6A9 (0.60) CYP3A4CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL30191495 0.80 CTSL (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2605309 0.80 SLC6A9 (0.68)
SCHEMBL2126423 0.77 SLC6A9 (0.39) TSHRALDH1A1KMT2AMAPK1MAPT
SCHEMBL2125188 0.77 SLC6A9 (0.39) TSHRALDH1A1KMT2AMAPK1MAPT
SCHEMBL2126165 0.77 SLC6A9 (0.39) TSHRALDH1A1KMT2AMAPK1MAPT
SCHEMBL25364651 0.76 HTR2C (0.43) KMT2ASMN1; SMN2HTT

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-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
WO-2010087762-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 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-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF SLC1A2, B4GALT1, SLC6A1 CYP3A4 838/4885CYP2C9 946/4885CYP2C19 697/4885

“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.