SCHEMBL21965097

SCHEMBL21965097

CCN1CC2(CCN(C(C)C)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CYP2D6 P10635 5/20 0.36
HRH3 Q9Y5N1 3/20 0.33
CYP1A2 P05177 2/20 0.33
HIF1A Q16665 2/20 0.33
USP2 O75604 1/20 0.33
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
VNN1 O95497 1/20 0.30

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
SCHEMBL16854933 0.90 TSHR (0.49) TSHRCYP2D6HRH3SMN1; SMN2VNN1
SCHEMBL19083180 0.90 TSHR (0.41) TSHRCYP2D6
SCHEMBL15132385 0.88 TSHR (0.47) TSHRCYP2D6CYP1A2HIF1AUSP2
SCHEMBL24329447 0.85 TSHR (0.39) TSHRCYP2D6SMN1; SMN2
SCHEMBL24074386 0.84 CYP2D6 (0.34) TSHRCYP2D6HRH3CYP1A2HIF1A
SCHEMBL20070818 0.83 TSHR (0.40) TSHRCYP2D6HRH3CYP1A2HIF1A
SCHEMBL21008274 0.83 TSHR (0.42) TSHRCYP2D6HRH3SMN1; SMN2VNN1
SCHEMBL19122632 0.82 TSHR (0.49) TSHRCYP2D6SMN1; SMN2VNN1
SCHEMBL18806138 0.82 TSHR (0.41) TSHRCYP2D6SMN1; SMN2
SCHEMBL24607443 0.82 CYP2D6 (0.48) TSHRCYP2D6CYP1A2HIF1AUSP2

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
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
WO-2023220134-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
WO-2023125908-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230066136-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-03-02 US disclosed
WO-2022133285-A1 MOLECULES AND METHODS RELATED TO TREATMNET OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2022-06-23 WO disclosed
WO-2021249324-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 南京红云生物科技有限公司 2021-12-16 WO disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 WO disclosed
WO-2021127561-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021022163-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-02-04 WO disclosed
US-10703712-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-07-07 US disclosed
US-10626081-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-04-21 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 (5 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR TSHR 2552/4885CYP2D6 9/4885HRH3 3023/4885
US-20230066136-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 TSHR 4793/4885CYP2D6 3897/4885HRH3 2014/4885
US-10703712-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 TSHR 365/4885CYP2D6 1529/4885HRH3 1260/4885
US-10626081-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 TSHR 365/4885CYP2D6 1529/4885HRH3 1260/4885
US-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 TSHR 3023/4885CYP2D6 4679/4885HRH3 3375/4885

“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.