SCHEMBL5388086

SCHEMBL5388086

NCC1(CC(=O)O)C[C@@H]2CC[C@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 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
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33
GRM1 Q13255 2/20 0.32
GRM2 Q14416 2/20 0.31
GRM5 P41594 1/20 0.31
GLRA1 P23415 1/20 0.31
SLC6A9 P48067 1/20 0.31
OR51E2 Q9H255 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
SCHEMBL6056234 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL588716 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL12021394 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL6026034 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL2592513 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL23355288 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3152370 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL122049 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL6056323 0.98 CYP1A2 (0.52) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL5390370 0.98 CYP1A2 (0.52) 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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514541-A1 Use of bicyclic amino acids for preventing and treating visceral pain and gastrointestinal disorders Warner-Lambert Company LLC (US) 2005-03-16 EP claimed
EP-1506955-A1 Bicyclic amino acids as pharmaceuticals agents Warner-Lambert Company LLC (US) 2005-02-16 EP claimed
US-20040266876-A1 Method for preventing and treating visceral pain and gastrointestinal disorders CHOVET MARIA (FR) 2004-12-30 US 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-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-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP 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-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US disclosed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP 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 (9 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 347/4885USP2 4327/4885ALDH1A1 268/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885USP2 4327/4885ALDH1A1 268/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CYP1A2 1403/4885USP2 1071/4885ALDH1A1 30/4885
US-20020161047-A1 Method for preventing and treating visceral pain and gastrointestinal disorders ALPI, VIP, SLC10A2 CYP1A2 845/4885USP2 3321/4885ALDH1A1 420/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885USP2 4327/4885ALDH1A1 268/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CYP1A2 1403/4885USP2 1071/4885ALDH1A1 30/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 CYP1A2 272/4885USP2 2142/4885ALDH1A1 104/4885
US-20040266876-A1 Method for preventing and treating visceral pain and gastrointestinal disorders ALPI, VIP, SLC10A2 CYP1A2 845/4885USP2 3321/4885ALDH1A1 420/4885
US-20040152779-A1 Bicyclic amino acids as pharmaceutical agents AADAT, SLC1A2, BCAT1 CYP1A2 1081/4885USP2 4661/4885ALDH1A1 1224/4885

“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.