SCHEMBL23770882

SCHEMBL23770882

CCCC(C)N1CCC2(CCc3ccccc32)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.53
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
EBP Q15125 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45

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
SCHEMBL23770531 0.91 SIGMAR1 (0.50) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL14154473 0.89 SIGMAR1 (0.52) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL14112074 0.83 SIGMAR1 (0.50) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8556730 0.82 SIGMAR1 (0.60) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL3819419 0.81 SIGMAR1 (0.52) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL13664908 0.77 SIGMAR1 (0.56) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL14112076 0.75 HSD11B1 (0.46) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL14307799 0.75 SIGMAR1 (0.65) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6396217 0.73 SIGMAR1 (0.52) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9479601 0.72 CYP2D6 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4

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 2 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-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 (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-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

“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.