SCHEMBL6990253

SCHEMBL6990253

O=C(O)CC1(CNc2ccccc2)C[C@@H]2C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD11B1 P28845 3/20 0.38
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.37
GRIN2B Q13224 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
MC4R P32245 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.36
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6997763 1.00 P2RX7 (0.43) P2RX7ALDH1A1LMNAKDM4EHSD11B1
SCHEMBL7186992 0.78 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EKMT2AHPGD
SCHEMBL15894814 0.68 CYP1A2 (0.43) ALDH1A1LMNAHSD11B1USP2SMN1; SMN2
SCHEMBL6056281 0.68 CYP1A2 (0.53) ALDH1A1LMNAHSD11B1USP2SMN1; SMN2
SCHEMBL5392232 0.68 CYP1A2 (0.53) ALDH1A1LMNAHSD11B1USP2SMN1; SMN2
SCHEMBL5384869 0.68 CYP1A2 (0.53) ALDH1A1LMNAHSD11B1USP2SMN1; SMN2
SCHEMBL5529607 0.68 CYP1A2 (0.53) ALDH1A1LMNAHSD11B1USP2SMN1; SMN2
SCHEMBL5406229 0.68 CYP1A2 (0.53) ALDH1A1LMNAHSD11B1USP2SMN1; SMN2
SCHEMBL6879832 0.68 CYP1A2 (0.53) ALDH1A1LMNAHSD11B1USP2SMN1; SMN2
SCHEMBL14559638 0.67 HSD11B1 (0.49) ALDH1A1HSD11B1KMT2AGRIN2BHPGD

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-20040152779-A1 Bicyclic amino acids as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2004-08-05 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-20040152779-A1 Bicyclic amino acids as pharmaceutical agents AADAT, SLC1A2, BCAT1 P2RX7 438/4885ALDH1A1 1224/4885LMNA 1221/4885

“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.