SCHEMBL588716

SCHEMBL588716

NCC1(CC(=O)O)CC2CCC2C1

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
SCHEMBL12021394 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL6026034 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5388086 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 269 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11471416-B2 Extended release pharmaceutical formulation and methods of treatment DOUGLAS PHARMACEUTICALS, LTD. (NZ) 2022-10-18 US claimed
EP-2125021-B8 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH ALPHA 2DELTA LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2012-02-15 EP claimed
EP-2125021-B1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2011-06-08 EP claimed
EP-2125021-A1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS Recordati Ireland Limited (IE) 2009-12-02 EP claimed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US claimed
WO-2008077599-A1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH α2δ LIGANDS AND NSAIDS RECORDATI IRELAND LIMITED (IE) 2008-07-03 WO claimed
US-20080153888-A1 ALPHA-2-DELTA LIGAND/NSAID THERAPEUTIC TREATMENT OF LOWER URINARY TRACT DISORDERS RECORDATI IRELAND LIMITED (IE) 2008-06-26 US claimed
EP-1506955-B1 Bicyclic amino acids as pharmaceuticals agents WARNER LAMBERT CO (US) 2007-03-28 EP claimed
EP-1658058-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658098-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP 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

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

For each of this compound's patents that has machine-readable text (5 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 483/4885USP2 3476/4885ALDH1A1 137/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CYP1A2 1403/4885USP2 1071/4885ALDH1A1 30/4885
US-11471416-B2 Extended release pharmaceutical formulation and methods of treatment CRH, HTR5A, NPY5R CYP1A2 772/4885USP2 1206/4885ALDH1A1 2863/4885
US-20020161047-A1 Method for preventing and treating visceral pain and gastrointestinal disorders ALPI, VIP, SLC10A2 CYP1A2 845/4885USP2 3321/4885ALDH1A1 420/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 CYP1A2 1834/4885USP2 2450/4885ALDH1A1 1861/4885

“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.