SCHEMBL5453346

SCHEMBL5453346

CC[C@@H]1CC(CN)(CC(=O)O)C[C@@H]1CC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
CACNA2D1 P54289 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.30

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
SCHEMBL5436488 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL4755970 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5448092 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5441719 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5458824 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL4755975 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5446651 0.90 CYP1A2 (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5447752 0.90 CYP1A2 (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5436131 0.90 CYP1A2 (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5437186 0.90 CYP1A2 (0.44) CYP1A2USP2ALDH1A1LMNATSHR

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-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-07-12 US disclosed
EP-1572184-A1 GABAPENTIN ANALOGUES FOR FIBROMYALGIA AND OTHER RELATED DISORDERS WARNER-LAMBERT COMPANY (US) 2005-09-14 EP disclosed
WO-2004054564-A1 GABAPENTIN ANALOGUES FOR FIBROMYALGIA AND OTHER RELATED DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 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-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885USP2 4327/4885ALDH1A1 268/4885

“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.