SCHEMBL19196834

SCHEMBL19196834

CC(C)(C)N1CCN(C2CCN(C(=O)CN)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
CHRM1 P11229 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
ACHE P22303 4/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL11916105 0.94 KDM4E (0.38) MEN1KMT2ACPN1CPB2KDM4E
SCHEMBL26138844 0.84 MEN1 (0.40) MEN1KMT2AKDM4ECYP2C9CYP2C19
SCHEMBL16133057 0.83 SIGMAR1 (0.38) MEN1KMT2ACPN1CPB2KDM4E
SCHEMBL19203542 0.82 ACHE (0.50) MEN1KMT2ACPN1CPB2KDM4E
SCHEMBL19196470 0.82 SIGMAR1 (0.42) SIGMAR1CHRM1TP53TDP1ACACB
SCHEMBL4474136 0.80 SIGMAR1 (0.43) MEN1KMT2AKDM4ECYP2C9CYP2C19
SCHEMBL12606996 0.80 SIGMAR1 (0.43) SIGMAR1ACACBACACAL3MBTL3L3MBTL1
SCHEMBL4678853 0.79 L3MBTL3 (0.50) CPN1CPB2KDM4ECYP2C9CYP2C19
SCHEMBL26138783 0.79 SIGMAR1 (0.42) MEN1KMT2AKDM4ESIGMAR1CHRM1
SCHEMBL25856485 0.79 ALDH1A1 (0.53) MEN1KMT2ACPN1CPB2KDM4E

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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 MEN1 826/4885KMT2A 1452/4885CPN1 1838/4885

“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.