SCHEMBL19335035

SCHEMBL19335035

CN(CC1CC1C(C)(C)C)C(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
RIPK1 Q13546 1/20 0.34
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19004551 0.73 SLC6A4 (0.34)
SCHEMBL25564696 0.72 ALOX5 (0.39) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL12511320 0.70 LMNA (0.32) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL26424530 0.67 ADORA2A (0.33) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL13223501 0.66 KDM4E (0.39) KMT2A
SCHEMBL27043895 0.65 RIPK1 (0.44) RIPK1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL19652110 0.64 NCF1 (0.38) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL30580352 0.64
SCHEMBL25641637 0.64
SCHEMBL11996521 0.64 RIPK1 (0.39) RIPK1MEN1KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US disclosed
US-9758510-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 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-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP2D6 1127/4885DPP4 1459/4885DPP8 1889/4885

“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.