SCHEMBL9747693

SCHEMBL9747693

CC(=O)OC1CCC(C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HCRTR2 O43614 9/20 0.36
CHRM2 P08172 6/20 0.34
CHRM1 P11229 4/20 0.34
CHRM4 P08173 3/20 0.34
CHRM3 P20309 3/20 0.34
CHRM5 P08912 2/20 0.34
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21025711 0.88 CHRM2 (0.36) TSHRHCRTR2CHRM2CHRM1CHRM4
SCHEMBL177205 0.83
SCHEMBL12476221 0.83 CHRM2 (0.42) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL10710365 0.83 HCRTR2 (0.33) HCRTR2
SCHEMBL27563919 0.81
Ammonia Solution, Strong SCHEMBL28770241 0.81
Hydrochloric Acid SCHEMBL28064630 0.81
SCHEMBL28780475 0.81
SCHEMBL5439131 0.81 HCRTR2 (0.35) HCRTR2
SCHEMBL18082716 0.81 ATM (0.41) HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759781-B2 Substituted guanidine derivatives UBE INDUSTRIES, LTD. (JP) 2020-09-01 US disclosed
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 2019-05-23 US disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7585864-B2 Farnesyl protein transferase inhibitors and their use to treat cancer SCHERING CORPORATION (US) 2009-09-08 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
CN-1170811-C Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy ��ʲ 2004-10-13 CN disclosed
CN-1344245-A Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy WARNER LAMBER CO (US) 2002-04-10 CN disclosed
EP-0196222-B1 HYPOGLYCEMIC AGENT AJINOMOTO CO., INC. (JP) 1992-01-29 EP disclosed
EP-0196222-A2 Hypoglycemic agent AJINOMOTO CO., INC. (JP) 1986-10-01 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 (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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TSHR 3443/4885HCRTR2 4529/4885CHRM2 831/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TSHR 3443/4885HCRTR2 4529/4885CHRM2 831/4885
US-10759781-B2 Substituted guanidine derivatives GMPS, GUCY1A1, GUCY1A2 TSHR 1808/4885HCRTR2 3203/4885CHRM2 103/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TSHR 3443/4885HCRTR2 4529/4885CHRM2 831/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TSHR 3443/4885HCRTR2 4529/4885CHRM2 831/4885
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES GMPS, GUCY1A1, GUCY1A2 TSHR 1808/4885HCRTR2 3203/4885CHRM2 103/4885

“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.