SCHEMBL5443231

SCHEMBL5443231

CC(C)[C@H]1C[C@](CN)(CC(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
CACNA2D1 P54289 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.32
AKR1B1 P15121 1/20 0.30
GRM1 Q13255 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
SCHEMBL5436605 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL5436601 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL5434568 0.86 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL5434574 0.86 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL5434570 0.86 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL5440202 0.86 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL5440200 0.86 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL5437232 0.86 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL5441678 0.86 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL5463036 0.85 CYP1A2 (0.48) ALDH1A1CYP1A2TSHRUSP2LMNA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032555-B1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2006-04-12 EP claimed
US-6921835-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER LAMBERT COMPANY (US) 2005-07-26 US claimed
US-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-27 US claimed
US-20030212133-A1 Gabapentin analogues for sleep disorders BRYANS JUSTIN STEPHEN (GB) 2003-11-13 US claimed
EP-1296671-A2 GABAPENTIN ANALOGUES FOR SLEEP DISORDERS WARNER-LAMBERT COMPANY (US) 2003-04-02 EP claimed
WO-2002000209-A2 GABAPENTIN ANALOGUES FOR SLEEP DISORDERS WARNER-LAMBERT COMPANY (US) 2002-01-03 WO claimed
EP-1032555-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-09-06 EP claimed
WO-1999021824-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO claimed
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY (US) 2007-12-20 US disclosed
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-11-29 US disclosed
US-20070213401-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-09-13 US disclosed
US-20070161706-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-07-12 US disclosed
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-07-12 US disclosed
US-7141606-B2 Gabapentin analogues for sleep disorders WARNER-LAMBERT COMPANY (US) 2006-11-28 US disclosed
US-6635673-B1 1-Aminomethyl-3,4-dimethyl-cyclopentyl acetic acid; epilepsy; neurodegenerative, neuropathological and gastrointestinal disorders; depression, anxiety, panic, pain WARNER-LAMBERT COMPANY 2003-10-21 US disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 WO disclosed
EP-1296671-A2 GABAPENTIN ANALOGUES FOR SLEEP DISORDERS WARNER-LAMBERT COMPANY (US) 2003-04-02 EP disclosed
WO-2002000209-A2 GABAPENTIN ANALOGUES FOR SLEEP DISORDERS WARNER-LAMBERT COMPANY (US) 2002-01-03 WO disclosed
EP-1032555-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-09-06 EP disclosed
WO-1999021824-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 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 (7 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-20070213401-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 ALDH1A1 268/4885CYP1A2 347/4885TSHR 561/4885
US-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents APC, VIP, NPSR1 ALDH1A1 3481/4885CYP1A2 3494/4885TSHR 1541/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 ALDH1A1 268/4885CYP1A2 347/4885TSHR 561/4885
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 ALDH1A1 268/4885CYP1A2 347/4885TSHR 561/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 ALDH1A1 268/4885CYP1A2 347/4885TSHR 561/4885
US-20070161706-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 ALDH1A1 268/4885CYP1A2 347/4885TSHR 561/4885
US-20030212133-A1 Gabapentin analogues for sleep disorders GABRA1, SLC6A1, GABRB1 ALDH1A1 757/4885CYP1A2 866/4885TSHR 2606/4885

“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.