SCHEMBL24673400

SCHEMBL24673400

CC(C)CN1CC2(CN(C)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 4/20 0.36
PIK3CD O00329 4/20 0.35
USP2 O75604 6/20 0.35
CYP1A2 P05177 4/20 0.35
HIF1A Q16665 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 6/20 0.32
ALOX15 P16050 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
SCHEMBL24607751 0.90 CYP2D6 (0.42) CYP2D6SMN1; SMN2TSHRPIK3CDUSP2
SCHEMBL24508733 0.81 CYP2D6 (0.38) CYP2D6SMN1; SMN2TSHRPIK3CDUSP2
SCHEMBL24508755 0.80 CYP2D6 (0.49) CYP2D6SMN1; SMN2TSHRUSP2CYP1A2
SCHEMBL22305208 0.80 CYP2D6 (0.53) CYP2D6SMN1; SMN2TSHRPIK3CDUSP2
SCHEMBL27281654 0.80 CYP2D6 (0.47) CYP2D6SMN1; SMN2TSHRPIK3CDUSP2
SCHEMBL27281826 0.80 CYP3A4 (0.48) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL19504447 0.79 KDM1A (0.31) HSD17B10
SCHEMBL26445327 0.79 CYP2D6 (0.37) CYP2D6SMN1; SMN2TSHRPIK3CDUSP2
SCHEMBL16999001 0.76 CYP2D6 (0.45) CYP2D6SMN1; SMN2TSHRUSP2CYP1A2
SCHEMBL23770532 0.76 CYP2D6 (0.45) CYP2D6SMN1; SMN2TSHRUSP2CYP1A2

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-20240228500-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. 2024-07-11 US disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 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-20240228500-A1 THERAPEUTIC CONJUGATES CD47, CD44, EPCAM CYP2D6 3813/4885SMN1; SMN2 620/4885TSHR 1880/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885SMN1; SMN2 2647/4885TSHR 3319/4885

“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.