SCHEMBL21945580

SCHEMBL21945580

CCC(=O)C(C)CNC1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.41
KDM4E B2RXH2 2/20 0.36
SMYD3 Q9H7B4 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 2/20 0.33
EPHX1 P07099 2/20 0.33
EPHX2 P34913 3/20 0.33
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL18880073 0.88 SMYD3 (0.40) METAP1KDM4ESMYD3L3MBTL1EPHX1
SCHEMBL29954860 0.79 CYP1A2 (0.41) METAP1KDM4ESMYD3LMNACYP1A2
SCHEMBL27999409 0.77 CYP3A4 (0.37) METAP1KDM4ESMYD3LMNACYP1A2
SCHEMBL3992307 0.76 LMNA (0.39) METAP1KDM4ESMYD3LMNACYP1A2
SCHEMBL3547551 0.72 KDM4E (0.50) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL3537247 0.71 KDM4E (0.53) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL3671063 0.71 LMNA (0.44) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL4919308 0.70
SCHEMBL3667979 0.69 KDM4E (0.47) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL1202906 0.69 KDM4E (0.47) KDM4ELMNACYP1A2CYP2D6SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640500-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-05-05 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 (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-10640500-B2 Tetrahydropyrazolopyrimidine compounds SSB, TLR8, TLR9 METAP1 1285/4885KDM4E 1310/4885SMYD3 2000/4885

“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.