SCHEMBL4525698

SCHEMBL4525698

CC(C)(C)OC(=O)N1CC2CCCC(C1)C2O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PREP P48147 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
RECQL P46063 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
LIPE Q05469 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
SCHEMBL28375692 1.00 NR1H2 (0.55) NR1H2HPGDEPHX1CHRM2CHRM1
SCHEMBL20554188 0.97 NR1H2 (0.55) NR1H2HPGDEPHX1CHRM2CHRM1
SCHEMBL18986940 0.93 NR1H2 (0.58) NR1H2HPGDEPHX1CHRM2CHRM1
SCHEMBL18986938 0.93 NR1H2 (0.58) NR1H2HPGDEPHX1CHRM2CHRM1
SCHEMBL10106246 0.93 NR1H2 (0.58) NR1H2HPGDEPHX1CHRM2CHRM1
SCHEMBL28666005 0.93 NR1H2 (0.58) NR1H2HPGDEPHX1CHRM2CHRM1
SCHEMBL23963745 0.91 NR1H2 (0.60) NR1H2HPGDEPHX1CHRM2CHRM1
SCHEMBL14870523 0.91 NR1H2 (0.60) NR1H2HPGDEPHX1CHRM2CHRM1
SCHEMBL21774419 0.91 NR1H2 (0.60) NR1H2HPGDEPHX1CHRM2CHRM1
SCHEMBL8256164 0.91 NR1H2 (0.60) NR1H2HPGDEPHX1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF GUANGZHOU HENOVCOM BIOSCIENCE CO. LTD. (CN) 2019-01-03 US disclosed
EP-3401315-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF Guangzhou Henovcom Bioscience Co. Ltd. (CN) 2018-11-14 EP disclosed
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP 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 (4 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-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF NR1H4, FXR1, GPBAR1 NR1H2 6/4885HPGD 802/4885EPHX1 2053/4885
US-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 NR1H2 42/4885HPGD 2568/4885EPHX1 1273/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 NR1H2 32/4885HPGD 3412/4885EPHX1 1517/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 NR1H2 38/4885HPGD 2601/4885EPHX1 1253/4885

“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.