SCHEMBL5397973

SCHEMBL5397973

NC[C@]1(CC(=O)O)CC[C@@H]2CCCC[C@@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
CACNA2D1 P54289 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD11B1 P28845 1/20 0.34
CYP2C19 P33261 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL6229967 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL7513076 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5394733 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5406029 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL6229397 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL6427344 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL6740548 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5390258 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL6056282 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5382163 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266876-A1 Method for preventing and treating visceral pain and gastrointestinal disorders CHOVET MARIA (FR) 2004-12-30 US claimed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP claimed
US-6784208-B2 BICYCLIC FUSED HYDROCARBON RINGS SUBSTITUTED WITH AMINOMETHYL AND CARBOXYMETHYL GROUPS ON SAME POSITION OF RING; 3-AMINOMETHYL-BICYCLO(3.2.0)HEPTANE-3-ACETIC ACID FOR EXAMPLE WARNER-LAMBERT COMPANY 2004-08-31 US claimed
US-20040152779-A1 Bicyclic amino acids as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2004-08-05 US claimed
JP-2004517147-A 2004-06-10 JP claimed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US claimed
US-6689906-B1 Bicyclic amino acids as pharmaceutical agents WARNER-LAMBERT COMPANY 2004-02-10 US claimed
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder DOOLEY DAVID JAMES (US) 2004-01-08 US claimed
EP-1357910-A2 METHOD FOR PREVENTING AND TREATING VISCERAL PAIN AND GASTROINTESTINAL DISORDERS Warner-Lambert Company LLC (US) 2003-11-05 EP claimed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US claimed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO claimed
US-20020161047-A1 Method for preventing and treating visceral pain and gastrointestinal disorders WARNER-LAMBERT COMPANY 2002-10-31 US claimed
WO-2002058680-A2 USE OF BICYLIC AMINO ACIDS FOR PREVENTING AND TREATING VISCERAL PAIN AND GASTROINTESTINAL DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2002-08-01 WO claimed
EP-1226820-A1 Use of bicyclic amino acids for preventing and treating visceral pain and gastrointestinal disorders WARNER-LAMBERT COMPANY (US) 2002-07-31 EP claimed
EP-1226110-A1 BICYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-07-31 EP claimed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US claimed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP claimed
WO-2001028978-A1 BICYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-04-26 WO claimed
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY (US) 2007-12-20 US disclosed
WO-2001028978-A1 BICYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-04-26 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 (8 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-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D CYP1A2 483/4885ALDH1A1 137/4885USP2 3476/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885ALDH1A1 268/4885USP2 4327/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CYP1A2 1403/4885ALDH1A1 30/4885USP2 1071/4885
US-20020161047-A1 Method for preventing and treating visceral pain and gastrointestinal disorders ALPI, VIP, SLC10A2 CYP1A2 845/4885ALDH1A1 420/4885USP2 3321/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CYP1A2 1403/4885ALDH1A1 30/4885USP2 1071/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 CYP1A2 272/4885ALDH1A1 104/4885USP2 2142/4885
US-20040266876-A1 Method for preventing and treating visceral pain and gastrointestinal disorders ALPI, VIP, SLC10A2 CYP1A2 845/4885ALDH1A1 420/4885USP2 3321/4885
US-20040152779-A1 Bicyclic amino acids as pharmaceutical agents AADAT, SLC1A2, BCAT1 CYP1A2 1081/4885ALDH1A1 1224/4885USP2 4661/4885

“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.