SCHEMBL17580347

SCHEMBL17580347

COc1ccccc1[C@H](CN)OC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.43
ACACA Q13085 10/20 0.42

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
SCHEMBL17580298 1.00 ACACB (0.43) ACACBACACA
SCHEMBL18908171 0.87 ACACB (0.44) ACACBACACA
SCHEMBL29642175 0.86 ACACB (0.47) ACACBACACA
SCHEMBL29700513 0.86 ACACB (0.47) ACACBACACA
SCHEMBL29354548 0.86 ACACB (0.45) ACACBACACA
SCHEMBL14945397 0.86 ACACB (0.47) ACACBACACA
SCHEMBL14945398 0.86 ACACB (0.47) ACACBACACA
SCHEMBL21980409 0.86 ACACB (0.45) ACACBACACA
SCHEMBL21816549 0.86 ACACB (0.47) ACACBACACA
SCHEMBL30901794 0.86 ACACB (0.45) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904357-A1 SPIRO COMPOUND AND MEDICAL USES THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd (CN) 2021-11-03 EP disclosed
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
CN-111848678-A Phosphorus-containing thienopyrimidine derivatives 正大天晴药业集团股份有限公司 2020-10-30 CN disclosed
US-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2020-04-02 US disclosed
US-9988399-B2 Bicyclic compounds as ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-06-05 US disclosed
US-20160108060-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-04-21 US disclosed
EP-2994138-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo Inc. (US) 2016-03-16 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 (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-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ACACA, COASY, ACACB ACACB 3/4885ACACA 1/4885
US-20160108060-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ACACB 2/4885ACACA 1/4885
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ACACA, COASY, ACACB ACACB 3/4885ACACA 1/4885

“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.