SCHEMBL7872036

SCHEMBL7872036

C[C@@H]1CCC(C(=O)O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
BTK Q06187 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.36
NR1H2 P55055 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL17841757 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL17922948 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL601116 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL601118 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL600728 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL601117 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2BTKCHRM2CHRM1
SCHEMBL16453643 0.87 HSD17B10 (0.39) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL7878962 0.86 HSD17B10 (0.38) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL7872025 0.86 HSD17B10 (0.38) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL600399 0.86 HSD17B10 (0.38) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828368-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
US-9828368-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
US-20160176858-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 US disclosed
US-20160176858-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 US disclosed
WO-2015020930-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-02-12 WO disclosed
US-20140228377-A1 METHYLPIPERIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-08-14 US disclosed
US-20140228377-A1 METHYLPIPERIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-08-14 US disclosed
EP-2730573-A1 METHYLPIPERIDINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-05-14 EP disclosed
WO-2013005755-A1 METHYLPIPERIDINE DERIVATIVE 大正製薬株式会社 (JP) 2013-01-10 WO disclosed
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 US disclosed
WO-2010124055-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 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 (3 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-20140228377-A1 METHYLPIPERIDINE DERIVATIVE HCRTR1, HCRTR2, MC4R HSD17B10 1452/4885SMN1; SMN2 1457/4885BTK 2264/4885
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS GRM5, GRIK5, GRM2 HSD17B10 2572/4885SMN1; SMN2 1209/4885BTK 4458/4885
US-20160176858-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HSD17B10 1256/4885SMN1; SMN2 2021/4885BTK 3179/4885

“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.