SCHEMBL2605313

SCHEMBL2605313

C[C@@H](NC(=O)OCc1ccccc1)C12CCC(CC1)N2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.47
TSHR P16473 9/20 0.47
CYP2C9 P11712 6/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP2C19 P33261 5/20 0.47
CTSK P43235 5/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CASP1 P29466 1/20 0.46
CYP2D6 P10635 2/20 0.45
PREP P48147 2/20 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
SCHEMBL2605317 0.85 SLC6A9 (0.57) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19
SCHEMBL2605312 0.76 CTSK (0.48) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19
SCHEMBL12235290 0.74 ATM (0.50) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19
SCHEMBL22698689 0.74 ATM (0.56) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19
SCHEMBL8041576 0.73 ATM (0.64) ALDH1A1CTSKATM
SCHEMBL308291 0.73 ATM (0.64) CYP3A4TSHRALDH1A1CTSKATM
SCHEMBL25416211 0.73 SMN1; SMN2 (0.46) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL25416278 0.72 ATM (0.53) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19
SCHEMBL22233607 0.72 ITGB3 (0.51) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19
SCHEMBL19701701 0.72 ITGB3 (0.51) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19

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 1 patent. 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

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 838/4885TSHR 3969/4885CYP2C9 946/4885

“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.