SCHEMBL2897176

SCHEMBL2897176

CC(C)CC1COC(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP1A2 P05177 1/20 0.38
PIK3CD O00329 1/20 0.34
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL2897172 1.00 CHRM5 (0.41) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL13025301 1.00 CHRM5 (0.41) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL13779618 0.82 CHRM5 (0.39) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL16885287 0.82 CHRM5 (0.36) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL13064060 0.79 CHRM5 (0.35) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL2034622 0.79 CHRM5 (0.40) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL338034 0.78 MAPT (0.36) CYP1A2MAPTSMN1; SMN2
SCHEMBL16889979 0.77 CHRM5 (0.38) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL9815240 0.76 CYP1A2 (0.47) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL8226932 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105481801-B Preparation method of pregabalin chiral intermediate 广东莱佛士制药技术有限公司 2021-08-13 CN claimed
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. 2018-01-25 US disclosed
EP-3216863-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-09-13 EP disclosed
EP-2978748-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-05-10 EP disclosed
CN-105481801-A Preparation method of pregabalin chiral intermediate RAFFLES PHARMATECH CO LTD 2016-04-13 CN disclosed
EP-2978748-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN Pfizer Ireland Pharmaceuticals (IE) 2016-02-03 EP disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
US-9212139-B2 Aryl substituted indoles and their use as blockers of sodium channels PURDUE PHARMA, L.P. (US) 2015-12-15 US disclosed
WO-2014155291-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2014-10-02 WO disclosed
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels PURDUE PHARMA L.P. (US) 2013-11-07 US disclosed
US-20030229054-A1 Novel amines as pharmaceutical agents BELLIOTTI THOMAS RICHARD (US) 2003-12-11 US disclosed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US disclosed
US-6620829-B2 Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
US-6521650-B1 Novel gamma aminobutyric acids; treatment of epilepsy, faint-ness attacks, hypokinesia, cranial disorders, neurodegenera-tive disorders, depression, anxiety, panic, pain, neuropatho-logical disorders, inflammation and gastrointestinal damage PFIZER, INC. 2003-02-18 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
EP-1045839-A2 NOVEL AMINES AS PHARMACEUTICAL AGENTS Warner-Lambert Company LLC (US) 2000-10-25 EP disclosed
WO-1999031074-A2 ((CYCLO)ALKYL SUBSTITUTED)-.GAMMA.-AMINOBUTYRIC ACID DERIVATIVES (=GABA ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 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 (6 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-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin GABRE, GABRG1, GABRG2 CHRM5 2119/4885CHRM2 2020/4885CHRM4 1567/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D CHRM5 711/4885CHRM2 265/4885CHRM4 848/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CHRM5 2957/4885CHRM2 2114/4885CHRM4 3127/4885
US-20030229054-A1 Novel amines as pharmaceutical agents HTR1B, HTR1A, TPSAB1 CHRM5 400/4885CHRM2 167/4885CHRM4 487/4885
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels SCN5A, TRPV1, TRPV5 CHRM5 192/4885CHRM2 369/4885CHRM4 468/4885
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 CHRM5 221/4885CHRM2 535/4885CHRM4 692/4885

“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.