SCHEMBL21739865

SCHEMBL21739865

CC(=O)N1CCC2(CC1)CCN(C(C)C)C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
CYP2D6 P10635 7/20 0.51
CYP2C9 P11712 5/20 0.51
CYP2C19 P33261 4/20 0.51
TSHR P16473 4/20 0.51
USP2 O75604 4/20 0.51
CYP1A2 P05177 3/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 1/20 0.45
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HPGD P15428 3/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL25551498 0.91 CYP2D6 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL25135384 0.91 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL25552370 0.89 CYP2D6 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL21739822 0.89 HRH3 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL24918193 0.89 CYP2C9 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL25135381 0.85 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL25557341 0.84 HRH3 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL18705156 0.83 CYP2D6 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL20071144 0.83 CYP2D6 (0.63) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL24186797 0.81 HRH3 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19TSHR

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-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO 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-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO 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 (1 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-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 CYP3A4 4372/4885CYP2D6 4097/4885CYP2C9 4613/4885

“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.