SCHEMBL2605318

SCHEMBL2605318

CN1C2CCC1([C@H](NC(=O)OCc1ccccc1)c1ccccc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.60
CYP3A4 P08684 19/20 0.56
TSHR P16473 11/20 0.56
ALDH1A1 P00352 11/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
CASP1 P29466 1/20 0.56
CYP2C9 P11712 17/20 0.55
CYP2C19 P33261 16/20 0.55
LMNA P02545 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP1A2 P05177 14/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP2D6 P10635 13/20 0.53
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL2605312 0.87 CTSK (0.48) SLC6A9CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL3711814 0.87 CYP3A4 (0.54) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL2124675 0.83 CYP3A4 (0.52) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL2124677 0.83 CYP3A4 (0.52) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL3708435 0.82 SLC6A9 (0.76) SLC6A9
SCHEMBL2605325 0.82 SLC6A9 (0.62) SLC6A9
SCHEMBL2605333 0.82 SLC6A9 (0.62) SLC6A9
SCHEMBL2605332 0.82 SLC6A9 (0.62) SLC6A9
SCHEMBL2605317 0.75 SLC6A9 (0.57) SLC6A9CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL2605327 0.75 SLC6A9 (1.00) SLC6A9

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 3 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
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 SLC6A9 50/4885CYP3A4 838/4885TSHR 3969/4885

“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.