SCHEMBL5443247

SCHEMBL5443247

CC1(C)CC[C@@](CN)(CC(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
BLM P54132 1/20 0.55
CACNA2D1 P54289 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
GABRA5 P31644 1/20 0.32
GABRB2 P47870 1/20 0.32
CYP2C19 P33261 1/20 0.31
GRM1 Q13255 1/20 0.31
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
SCHEMBL5443243 1.00 CYP1A2 (0.55) CYP1A2ALDH1A1TSHRUSP2LMNA
SCHEMBL5443250 1.00 CYP1A2 (0.55) CYP1A2ALDH1A1TSHRUSP2LMNA
Hydrochloric Acid SCHEMBL5691799 0.98 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRUSP2LMNA
SCHEMBL14459042 0.89 CYP1A2 (0.61) CYP1A2ALDH1A1TSHRUSP2LMNA
SCHEMBL26072 0.89 CYP1A2 (0.61) CYP1A2ALDH1A1TSHRUSP2LMNA
Hydrochloric Acid SCHEMBL6378810 0.87 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRUSP2LMNA
SCHEMBL5440149 0.86 CYP1A2 (0.55) CYP1A2ALDH1A1TSHRUSP2LMNA
SCHEMBL25224 0.84 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRUSP2LMNA
SCHEMBL12203096 0.81
SCHEMBL5440075 0.81 CYP1A2 (0.55) CYP1A2ALDH1A1TSHRUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212133-A1 Gabapentin analogues for sleep disorders BRYANS JUSTIN STEPHEN (GB) 2003-11-13 US claimed
CN-1436075-A Gabapentin analogues for sleep disorders WARNER LAMBERT CO (US) 2003-08-13 CN 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
CN-1276784-A Cyclic amino acids and their organisms as medicaments WARNER LAMBERT CO (US) 2000-12-13 CN 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
CN-101283995-A Different pharmaceutical uses alpha2delta ligands WARNER LAMBERT CO (US) 2008-10-15 CN disclosed
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
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
CN-1436075-A Gabapentin analogues for sleep disorders WARNER LAMBERT CO (US) 2003-08-13 CN 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
CN-1276784-A Cyclic amino acids and their organisms as medicaments WARNER LAMBERT CO (US) 2000-12-13 CN 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 (6 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 CYP1A2 347/4885ALDH1A1 268/4885TSHR 561/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885ALDH1A1 268/4885TSHR 561/4885
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885ALDH1A1 268/4885TSHR 561/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885ALDH1A1 268/4885TSHR 561/4885
US-20070161706-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885ALDH1A1 268/4885TSHR 561/4885
US-20030212133-A1 Gabapentin analogues for sleep disorders GABRA1, SLC6A1, GABRB1 CYP1A2 866/4885ALDH1A1 757/4885TSHR 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.