SCHEMBL24484657

SCHEMBL24484657

OC1(Cc2ccc(C3CC3)cn2)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ESR2 Q92731 3/20 0.36
KDM4E B2RXH2 2/20 0.33
MBOAT4 Q96T53 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
QDPR P09417 1/20 0.33
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL26081042 0.85 KDM4E (0.41) ESR2KDM4EMBOAT4GLAHTT
Hydrochloric Acid SCHEMBL22719413 0.79 DDB1 (0.34) DDB1CRBNMBOAT4HTR2C
SCHEMBL31283719 0.78 DRD2 (0.44) GLATDP1L3MBTL1
SCHEMBL25387056 0.78 DRD2 (0.44) GLATDP1L3MBTL1
SCHEMBL25218643 0.74 OPRM1 (0.40) TDP1SIGMAR1HTR2C
SCHEMBL10181863 0.74 QDPR (0.49) DDB1CRBNKDM4EGLAHTT
SCHEMBL4444838 0.73 AOC3 (0.33) KDM4EKMT2ATDP1L3MBTL1
SCHEMBL1758550 0.71 KDM4E (0.42) ESR2KDM4EMBOAT4GLAHTT
SCHEMBL11919150 0.71 TLR9 (0.46) DDB1CRBNQDPRSLC18A3SIGMAR1
SCHEMBL29571928 0.71 CYP46A1 (0.46) KMT2ASMN1; SMN2L3MBTL1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 DDB1 3490/4885CRBN 1727/4885ESR2 1755/4885

“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.