SCHEMBL5384976

SCHEMBL5384976

NCC1(CC(=O)O)CC2CCCCC2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
CACNA2D1 P54289 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD11B1 P28845 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 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
SCHEMBL14559606 1.00 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL8348773 1.00 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL14559584 1.00 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5390449 0.98 ALDH1A1 (0.58) CYP1A2ALDH1A1USP2LMNATSHR
Hydrochloric Acid SCHEMBL5384785 0.98 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL14559594 0.96 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL14559590 0.96 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5382165 0.96 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
Hydrochloric Acid SCHEMBL5381205 0.94 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL7432467 0.93 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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506955-B1 Bicyclic amino acids as pharmaceuticals agents WARNER LAMBERT CO (US) 2007-03-28 EP claimed
CN-1678298-A Use of an alpha2delta ligand such as gabapentin or pregabalin for treating ttention deficit hyperactivity disorder WARNER LAMBERT CO (US) 2005-10-05 CN claimed
CN-1610544-A Method for preventing and treating visceral pain and gastrointestinal disorders WARNER LAMBERT CO (US) 2005-04-27 CN claimed
EP-1515709-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER Warner-Lambert Company LLC (US) 2005-03-23 EP claimed
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
CN-1165518-C Bicyclic amino acids as pharmaceutical agents ��ʲ 2004-09-08 CN 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
WO-2004002462-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING TTENTION DEFICIT HYPERACTIVITY DISORDER WARNER-LAMBERT COMPANY LLC (US) 2004-01-08 WO claimed
EP-1357910-A2 METHOD FOR PREVENTING AND TREATING VISCERAL PAIN AND GASTROINTESTINAL DISORDERS Warner-Lambert Company LLC (US) 2003-11-05 EP claimed
CN-1382118-A Bicyclic amino acids as pharmaceutical agents WARNER LAMBERT CO (US) 2002-11-27 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-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-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.