SCHEMBL3147308

SCHEMBL3147308

NC[C@@]1(CC(=O)O)C[C@H]2CCC[C@H]21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.30
POLB P06746 1/20 0.30
PEPD P12955 1/20 0.30

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
SCHEMBL3151603 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3686565 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3152635 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL13450787 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL1924296 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL14547320 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL7628296 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3156153 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL21622002 1.00 CYP1A2 (0.38) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL121350 1.00 CYP1A2 (0.38) 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575798-B1 GASTRORETENTIVE DOSAGE FORMS OF GABA ANALOGS RUBICON RES PRIVATE LTD (IN) 2017-08-09 EP claimed
EP-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP claimed
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BLAKEMORE DAVID CLIVE (GB) 2004-05-13 US claimed
US-6596900-B2 Brain, nervous system, neurodegenerative, gastrointestinal, sleep, rheumatic, and psychological disorders; analgesics, antiepileptic agents PFIZER INC 2003-07-22 US claimed
US-20030078300-A1 Fused bicyclic or tricyclic amino acids PFIZER INC. 2003-04-24 US claimed
EP-2575798-B1 GASTRORETENTIVE DOSAGE FORMS OF GABA ANALOGS RUBICON RES PRIVATE LTD (IN) 2017-08-09 EP disclosed
WO-2017114225-A1 FUSED TRICYCLIC Γ-AMINO ACID DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2017-07-06 WO disclosed
WO-2017107907-A1 CONDENSED RING Γ-AMINO ACID DERIVATIVE AND PREPARATION METHOD AND MEDICAL USE THEREOF 四川海思科制药有限公司 2017-06-29 WO disclosed
US-20140206670-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER INC. (US) 2014-07-24 US disclosed
US-20130078290-A1 Gastroretentive Dosage Forms Of GABA Analogs RUBICON RESEARCH PRIVATE LIMITED (IN) 2013-03-28 US disclosed
US-20120329781-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER INC 2012-12-27 US disclosed
US-20110294881-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING alpha2delta SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS EDUSA PHARMACEUTICALS, INC. (US) 2011-12-01 US disclosed
US-20040072904-A1 Liquid pharmaceutical compositions VIATRIS SPECIALTY LLC. 2004-04-15 US disclosed
EP-1395242-A1 LIQUID PHARMACEUTICAL COMPOSITION Warner-Lambert Company LLC (US) 2004-03-10 EP disclosed
WO-2004016259-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2004-02-26 WO 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
US-6596900-B2 Brain, nervous system, neurodegenerative, gastrointestinal, sleep, rheumatic, and psychological disorders; analgesics, antiepileptic agents PFIZER INC 2003-07-22 US disclosed
US-20030078300-A1 Fused bicyclic or tricyclic amino acids PFIZER INC. 2003-04-24 US disclosed
US-20020198261-A1 Liquid pharmaceutical compositions KULKARNI NEEMA M (US) 2002-12-26 US disclosed
WO-2002094220-A1 LIQUID PHARMACEUTICAL COMPOSITION WARNER-LAMBERT COMPANY LLC (US) 2002-11-28 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 (7 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-20030078300-A1 Fused bicyclic or tricyclic amino acids AADAT, SLC1A2, BCAT1 CYP1A2 966/4885USP2 4035/4885ALDH1A1 1302/4885
US-20020198261-A1 Liquid pharmaceutical compositions GABRB2, GABRB1, GABRA6 CYP1A2 1219/4885USP2 3682/4885ALDH1A1 932/4885
US-20040072904-A1 Liquid pharmaceutical compositions GABRB2, GABRB1, GABRA6 CYP1A2 1219/4885USP2 3682/4885ALDH1A1 932/4885
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BCAT1, BCAT2, AADAT CYP1A2 2278/4885USP2 3447/4885ALDH1A1 3565/4885
US-20120329781-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS SLC6A2, OPRD1, ADRB2 CYP1A2 1017/4885USP2 4154/4885ALDH1A1 1636/4885
US-20140206670-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS SLC6A2, OPRD1, ADRB2 CYP1A2 1017/4885USP2 4154/4885ALDH1A1 1636/4885
US-20110294881-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING alpha2delta SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS GABRB2, GABRB3, GABRB1 CYP1A2 1185/4885USP2 1632/4885ALDH1A1 1342/4885

“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.