SCHEMBL24918399

SCHEMBL24918399

CC(C)C(=O)N1CCC2(CC1)CCN(C(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.41
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.40
HRH3 Q9Y5N1 6/20 0.40
CYP2C19 P33261 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CHRM1 P11229 1/20 0.36
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL18705154 0.89 HRH3 (0.47) CYP2D6CYP2C9CYP3A4ALDH1A1CYP1A2
SCHEMBL25557341 0.89 HRH3 (0.41) CYP2D6CYP2C9CYP3A4ALDH1A1CYP1A2
SCHEMBL21028193 0.88 CYP1A2 (0.44) CYP2D6CYP2C9CYP3A4ALDH1A1CYP1A2
SCHEMBL18390601 0.87 HRH3 (0.46) CYP2D6CYP2C9CYP3A4ALDH1A1CYP1A2
SCHEMBL24940855 0.87 CYP3A4 (0.42) CYP2D6CYP2C9CYP3A4ALDH1A1CYP1A2
SCHEMBL25557645 0.84 HRH3 (0.41) CYP2D6CYP2C9CYP3A4ALDH1A1CYP1A2
SCHEMBL24918193 0.82 CYP2C9 (0.57) CYP2D6CYP2C9CYP3A4ALDH1A1CYP1A2
SCHEMBL25480365 0.82 CYP1A2 (0.44) CYP2D6CYP2C9ALDH1A1CYP1A2CYP2C19
SCHEMBL23696386 0.82 CYP2D6 (0.39) CYP2D6CYP2C9CYP3A4ALDH1A1CYP1A2
SCHEMBL25557035 0.81 HRH3 (0.39) CYP2D6CYP2C9CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024077023-A2 CEREBLON-RECRUITING BCL-XL/BCL-2 DUAL DEGRADERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-04-11 WO disclosed
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
WO-2023096995-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-06-01 WO disclosed
US-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER C4 THERAPEUTICS, INC. 2023-01-26 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-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 CYP2D6 1170/4885CYP2C9 2267/4885CYP3A4 1072/4885
US-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER SMARCC1, SMARCC2, SMARCA2 CYP2D6 4266/4885CYP2C9 4679/4885CYP3A4 4713/4885

“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.