SCHEMBL23770532

SCHEMBL23770532

CC(C)CN1CC2(CCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 14/20 0.45
CYP3A4 P08684 11/20 0.43
CYP1A2 P05177 7/20 0.43
USP2 O75604 7/20 0.43
TSHR P16473 4/20 0.42
CYP2C19 P33261 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL24841698 0.98 CYP2D6 (0.44) CYP2D6CYP3A4CYP1A2USP2TSHR
SCHEMBL16999001 0.95 CYP2D6 (0.45) CYP2D6CYP3A4CYP1A2USP2TSHR
SCHEMBL27281654 0.90 CYP2D6 (0.47) CYP2D6CYP3A4CYP1A2USP2TSHR
SCHEMBL24607751 0.85 CYP2D6 (0.42) CYP2D6CYP3A4CYP1A2USP2TSHR
SCHEMBL13400658 0.85 CYP3A4 (0.51) CYP2D6CYP3A4CYP1A2USP2TSHR
SCHEMBL18926690 0.84 CYP2D6 (0.56) CYP2D6CYP3A4CYP1A2USP2TSHR
SCHEMBL13400806 0.83 CYP3A4 (0.54) CYP2D6CYP3A4CYP1A2USP2TSHR
SCHEMBL19969931 0.83 CYP3A4 (0.50) CYP2D6CYP3A4CYP1A2USP2TSHR
SCHEMBL24508755 0.80 CYP2D6 (0.49) CYP2D6CYP3A4CYP1A2USP2TSHR
SCHEMBL21552754 0.80 CYP2D6 (0.42) CYP2D6CYP3A4CYP1A2USP2TSHR

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
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-20230002378-A1 POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS STORM THERAPEUTICS LIMITED (GB) 2023-01-05 US disclosed
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 (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-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF ENTPD5, ENTPD1, NT5E CYP2D6 1833/4885CYP3A4 2669/4885CYP1A2 2176/4885
US-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD CYP2D6 1471/4885CYP3A4 562/4885CYP1A2 558/4885
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof ENTPD5, ENTPD1, NT5E CYP2D6 1833/4885CYP3A4 2669/4885CYP1A2 2176/4885
US-20230002378-A1 POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS METTL3, DIMT1, TPMT CYP2D6 1897/4885CYP3A4 2615/4885CYP1A2 2064/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT CYP2D6 1897/4885CYP3A4 2615/4885CYP1A2 2064/4885

“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.