SCHEMBL23770526

SCHEMBL23770526

CC(C)(C)N1CC2(CCc3ccccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.47
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC18A3 Q16572 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 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
SCHEMBL23770525 0.89 SIGMAR1 (0.50) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8101149 0.85 SIGMAR1 (0.56) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL21788652 0.80 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8129805 0.79 SIGMAR1 (0.58) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL29860963 0.75 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL19041309 0.75 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL24468011 0.74 SIGMAR1 (0.39) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL2743258 0.73 SIGMAR1 (0.67) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL11937070 0.72 SIGMAR1 (0.57) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL12084851 0.71 SIGMAR1 (0.57) SIGMAR1TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-05-17 US disclosed
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 US disclosed
US-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 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 (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-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF ENTPD5, ENTPD1, NT5E SIGMAR1 4584/4885ALDH1A1 205/4885TP53 1079/4885
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof ENTPD5, ENTPD1, NT5E SIGMAR1 4584/4885ALDH1A1 205/4885TP53 1079/4885
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BRAF, NRAS, RAF1 SIGMAR1 3852/4885ALDH1A1 1618/4885TP53 57/4885

“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.