SCHEMBL2605314

SCHEMBL2605314

C[C@@H](NC(=O)OCc1ccccc1)C12CCC(CC1)N2C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
CTSL P07711 2/20 0.46
CTSK P43235 5/20 0.44
PREP P48147 2/20 0.44
CYP3A4 P08684 8/20 0.44
TSHR P16473 8/20 0.44
CYP2C9 P11712 5/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2C19 P33261 4/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSB P07858 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2124677 0.88 CYP3A4 (0.52) SYKCYP3A4TSHRCYP2C9ALDH1A1
SCHEMBL2124675 0.88 CYP3A4 (0.52) SYKCYP3A4TSHRCYP2C9ALDH1A1
SCHEMBL2605312 0.83 CTSK (0.48) CTSLCTSKPREPCYP3A4TSHR
SCHEMBL30191495 0.81 CTSL (0.45) SYKCTSLCTSKALDH1A1MEN1
SCHEMBL25415550 0.78 HTT (0.41) CTSLALDH1A1CYP2C19MEN1KMT2A
SCHEMBL25364651 0.78 HTR2C (0.43) CTSLKMT2ASMN1; SMN2L3MBTL1
SCHEMBL2605336 0.77 CHRM2 (0.36) CTSLCTSKPREPTSHRALDH1A1
SCHEMBL2605306 0.77 CHRM2 (0.36) CTSLCTSKPREPTSHRALDH1A1
SCHEMBL31566574 0.76 CCR1 (0.48) SYKTSHRMEN1KMT2A
SCHEMBL31566622 0.74 P2RX7 (0.46) SYKTSHRMEN1KMT2A

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 SYK 4828/4885CTSL 3876/4885CTSK 3826/4885

“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.