SCHEMBL16800261

SCHEMBL16800261

CC1CC2(CC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
EPHX2 P34913 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM1A O60341 1/20 0.34
NR1H2 P55055 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPK1 P28482 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
SCHEMBL19792176 1.00 ACACB (0.40) ACACBCHRM2CHRM1CHRM3EPHX2
SCHEMBL25730009 0.94 ACACB (0.39) ACACBCHRM2CHRM1CHRM3EPHX2
SCHEMBL25922603 0.92 ACACB (0.38) ACACBCHRM2CHRM1CHRM3EPHX2
SCHEMBL18328129 0.90 ACACB (0.39) ACACBCHRM2CHRM1CHRM3EPHX2
SCHEMBL20553993 0.87 CHRM2 (0.41) ACACBCHRM2CHRM1CHRM3EPHX2
SCHEMBL20553992 0.87 CHRM2 (0.41) ACACBCHRM2CHRM1CHRM3EPHX2
SCHEMBL38656021 0.84 ACACB (0.38) ACACBCHRM2CHRM1CHRM3EPHX2
SCHEMBL25234631 0.83 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX2USP2
SCHEMBL14310674 0.81 CHRM2 (0.37) CHRM2CHRM1CHRM3EPHX2USP2
SCHEMBL8936177 0.81 CHRM2 (0.37) ACACBCHRM2CHRM1CHRM3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019144912-A1 β-LACTAMASE INHIBITOR AND USE THEREOF 苏州信诺维医药科技有限公司 2019-08-01 WO disclosed
US-9718807-B2 Synthesis of antiviral compound GILEAD PHARMASSET LLC (US) 2017-08-01 US disclosed
US-20160340345-A1 SYNTHESIS OF ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2016-11-24 US disclosed
US-20150232453-A1 SYNTHESIS OF ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC 2015-08-20 US disclosed
US-9056860-B2 Synthesis of antiviral compound GILEAD PHARMASSET LLC (US) 2015-06-16 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 (2 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-20150232453-A1 SYNTHESIS OF ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 ACACB 1861/4885CHRM2 4873/4885CHRM1 4799/4885
US-20160340345-A1 SYNTHESIS OF ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 ACACB 1861/4885CHRM2 4873/4885CHRM1 4799/4885

“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.