SCHEMBL1702135

SCHEMBL1702135

CC(C)c1cncc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CRHR2 Q13324 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
SCHEMBL26141052 0.83 CYP3A4 (0.41) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL25466578 0.83 — —
SCHEMBL799181 0.83 CYP3A4 (0.41) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL12263157 0.83 CYP3A4 (0.47) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL824020 0.78 HSD17B10 (0.32) —
SCHEMBL1106488 0.78 NOS3 (0.36) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL21341339 0.77 HMGCR (0.31) HMGCR
SCHEMBL22259380 0.73 IDH1 (0.34) —
SCHEMBL5958520 0.70 KDM4E (0.32) —
SCHEMBL1162069 0.70 NOS3 (0.35) CYP3A4CYP2D6TSHRCRHBPCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
WO-2023125182-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF 海思科医药集团股份有限公司 2023-07-06 — — WO disclosed
US-20230212140-A1 GLP-1 RECEPTOR AGONIST AND USE THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-07-06 — — US disclosed
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS Terns, Inc. 2023-05-18 — — US disclosed
US-11643403-B2 GLP-1 receptor agonist and use thereof ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-09 — — US disclosed
US-20230013143-A1 GLP-1 RECEPTOR AGONIST AND USE THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-01-19 — — US disclosed
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 — — US disclosed
US-20220054642-A1 SUPRAMOLECULAR MODIFICATION OF PROTEINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-02-24 — — US disclosed
US-11135227-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2021-10-05 — — US disclosed
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 — — US disclosed
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2020-03-05 — — US disclosed
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
US-9447078-B2 Substituted heterocyclic compounds for disease treatment ACUCELA INC. (US) 2016-09-20 — — US disclosed
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-08-29 — — US disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 — — 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 (16 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-20230013143-A1 GLP-1 RECEPTOR AGONIST AND USE THEREOF GLP1R, GIPR, GPR119 HMGCR 3418/4885CYP3A4 1301/4885CYP2D6 1519/4885
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR HMGCR 1637/4885CYP3A4 3202/4885CYP2D6 3926/4885
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CNKSR1, MOK, MAPK1 HMGCR 3928/4885CYP3A4 1722/4885CYP2D6 657/4885
US-20230212140-A1 GLP-1 RECEPTOR AGONIST AND USE THEREOF GLP1R, GIPR, GPR119 HMGCR 3418/4885CYP3A4 1301/4885CYP2D6 1519/4885
US-11643403-B2 GLP-1 receptor agonist and use thereof GLP1R, GIPR, GPR119 HMGCR 3418/4885CYP3A4 1301/4885CYP2D6 1519/4885
US-20220054642-A1 SUPRAMOLECULAR MODIFICATION OF PROTEINS IAPP, PTMS, GLP1R HMGCR 3484/4885CYP3A4 4384/4885CYP2D6 4596/4885
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 HMGCR 1416/4885CYP3A4 3440/4885CYP2D6 3391/4885
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT CLN6, ALDH1A2, PDE6D HMGCR 526/4885CYP3A4 4047/4885CYP2D6 3441/4885
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR HMGCR 270/4885CYP3A4 3536/4885CYP2D6 2931/4885
US-11135227-B2 Oxygen linked pyrimidine derivatives DPYD, TK2, TK1 HMGCR 3192/4885CYP3A4 2943/4885CYP2D6 1426/4885
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR HMGCR 270/4885CYP3A4 3536/4885CYP2D6 2931/4885
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 HMGCR 3192/4885CYP3A4 2943/4885CYP2D6 1426/4885
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR HMGCR 1665/4885CYP3A4 3624/4885CYP2D6 4352/4885
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR HMGCR 270/4885CYP3A4 3536/4885CYP2D6 2931/4885
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR HMGCR 1665/4885CYP3A4 3624/4885CYP2D6 4352/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HMGCR 3631/4885CYP3A4 2947/4885CYP2D6 2748/4885

“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.

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