SCHEMBL5859935

SCHEMBL5859935

O=C1C[C@@H](Cc2ccccc2)CO1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
MAOB P27338 1/20 0.45
HTR1A P08908 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
CYP19A1 P11511 1/20 0.43
GBA1 P04062 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
CCR3 P51677 1/20 0.40
ABCB1 P08183 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL5236823 1.00 CHRM5 (0.47) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL7977009 1.00 CHRM5 (0.47) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL8772735 0.84 GBA1 (0.46) MAOBHTR1ASIGMAR1GBA1CCR3
SCHEMBL13215737 0.82 HTT (0.47) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL5239977 0.82 TAAR1 (0.45) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL2933979 0.82 GBA1 (0.44) MAOBHTR1ASIGMAR1CYP19A1GBA1
SCHEMBL6261865 0.81 GBA1 (0.46) SIGMAR1CYP19A1GBA1CCR3GRIN2B
SCHEMBL4701393 0.80 ALDH1A1 (0.45) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL4392777 0.78 TAAR1 (0.48) TAAR1
SCHEMBL11310048 0.77 EED (0.50) LTB4RLTB4R2HTR1ACYP19A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153983-B2 Chemo-enzymatic process for the preparation of opticaly enriched β-benzyl-γ-butyrolactones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-12-26 US claimed
US-20040014993-A1 Novel chemo-enzymatic process for the preparation of opticaly enriched beta-benzyl-gamma-butyrolactones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-01-22 US claimed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2023-11-14 US disclosed
CN-110563672-B Method for preparing 4-bit chiral substituted gamma-butyrolactone 江苏恒盛药业有限公司 2023-03-28 CN disclosed
CN-110563672-A Method for preparing 4-bit chiral substituted gamma-butyrolactone 江苏恒盛药业有限公司 2019-12-13 CN disclosed
US-20180170918-A1 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG CAYMAN CHEMICAL CO INC (US) 2018-06-21 US disclosed
US-9914725-B2 Methods of synthesizing a difluorolactam analog CAYMAN CHEMICAL COMPANY, INC. (US) 2018-03-13 US disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-9346825-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2016-05-24 US disclosed
US-20160060253-A1 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG CAYMAN CHEMICAL COMPANY, INC. 2016-03-03 US disclosed
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
US-8242174-B2 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-08-14 US disclosed
US-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2012-06-21 US disclosed
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-05-05 US disclosed
US-7153983-B2 Chemo-enzymatic process for the preparation of opticaly enriched β-benzyl-γ-butyrolactones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-12-26 US disclosed
US-7153983-B2 Chemo-enzymatic process for the preparation of opticaly enriched β-benzyl-γ-butyrolactones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-12-26 US disclosed
US-20040014993-A1 Novel chemo-enzymatic process for the preparation of opticaly enriched beta-benzyl-gamma-butyrolactones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-01-22 US disclosed
US-20040014993-A1 Novel chemo-enzymatic process for the preparation of opticaly enriched beta-benzyl-gamma-butyrolactones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-01-22 US 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 (9 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-20040014993-A1 Novel chemo-enzymatic process for the preparation of opticaly enriched beta-benzyl-gamma-butyrolactones BBOX1, BCHE, AOX1 CHRM5 593/4885CHRM2 359/4885CHRM4 415/4885
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 CHRM5 4420/4885CHRM2 3520/4885CHRM4 4423/4885
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, CCNI CHRM5 822/4885CHRM2 432/4885CHRM4 1058/4885
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 CHRM5 2347/4885CHRM2 1396/4885CHRM4 1724/4885
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors IDO1, HCCS, CCNI CHRM5 822/4885CHRM2 432/4885CHRM4 1058/4885
US-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning ANTXR2, AGXT, AADAC CHRM5 3873/4885CHRM2 3578/4885CHRM4 4247/4885
US-20180170918-A1 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG PTGER4, PTGER1, PTGIR CHRM5 107/4885CHRM2 49/4885CHRM4 31/4885
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR CETP, MTTP, APOB CHRM5 4879/4885CHRM2 4877/4885CHRM4 4864/4885
US-20160060253-A1 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG PTGER4, PTGER1, PTGIR CHRM5 107/4885CHRM2 49/4885CHRM4 31/4885

“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.