SCHEMBL5437782

SCHEMBL5437782

NCC1(CC(=O)O)CC(Cc2ccccc2)(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
CACNA2D1 P54289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
AKR1B1 P15121 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
KEAP1 Q14145 1/20 0.36

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
SCHEMBL5441563 0.91 HSD11B1 (0.44) HSD11B1ALDH1A1USP2LMNACYP1A2
SCHEMBL5447800 0.91 HSD11B1 (0.44) HSD11B1ALDH1A1USP2LMNACYP1A2
SCHEMBL5441562 0.91 HSD11B1 (0.44) HSD11B1ALDH1A1USP2LMNACYP1A2
SCHEMBL5439925 0.86 HSD11B1 (0.42) HSD11B1ALDH1A1USP2LMNACYP1A2
SCHEMBL5439928 0.86 HSD11B1 (0.42) HSD11B1ALDH1A1USP2LMNACYP1A2
SCHEMBL5441874 0.86 HSD11B1 (0.42) HSD11B1ALDH1A1USP2LMNACYP1A2
SCHEMBL5443227 0.82 HSD11B1 (0.40) HSD11B1ALDH1A1USP2LMNACYP1A2
SCHEMBL5440008 0.82 HSD11B1 (0.43) HSD11B1ALDH1A1USP2LMNACYP1A2
SCHEMBL5438635 0.82 HSD11B1 (0.43) HSD11B1ALDH1A1USP2LMNACYP1A2
SCHEMBL5436174 0.82 HSD11B1 (0.40) HSD11B1ALDH1A1USP2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032555-B1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2006-04-12 EP claimed
US-6921835-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER LAMBERT COMPANY (US) 2005-07-26 US claimed
CN-1500773-A Cyclic amino acids and derivatives thereof useful as pharmaceutical agents ��ʲ 2004-06-02 CN claimed
US-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-27 US claimed
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
CN-101283995-A Different pharmaceutical uses alpha2delta ligands WARNER LAMBERT CO (US) 2008-10-15 CN disclosed
CN-100367946-C Gabapentin analogs for the treatment of fibromyalgia and other disorders WARNER LAMBERT CO (US) 2008-02-13 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-6635673-B1 1-Aminomethyl-3,4-dimethyl-cyclopentyl acetic acid; epilepsy; neurodegenerative, neuropathological and gastrointestinal disorders; depression, anxiety, panic, pain WARNER-LAMBERT COMPANY 2003-10-21 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
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 (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-20070213401-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 HSD11B1 416/4885ALDH1A1 268/4885USP2 4327/4885
US-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents APC, VIP, NPSR1 HSD11B1 3964/4885ALDH1A1 3481/4885USP2 4204/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 HSD11B1 416/4885ALDH1A1 268/4885USP2 4327/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 HSD11B1 416/4885ALDH1A1 268/4885USP2 4327/4885
US-20030212133-A1 Gabapentin analogues for sleep disorders GABRA1, SLC6A1, GABRB1 HSD11B1 432/4885ALDH1A1 757/4885USP2 4432/4885

“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.