SCHEMBL31428515

SCHEMBL31428515

CC(C)(C)OC(=O)C1CCN(C(=O)c2ccc3nc(C=O)ccc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
TSHR P16473 2/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL24976088 0.90 NPC1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9RAB9A
SCHEMBL31428516 0.86 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9RAB9A
SCHEMBL31428966 0.85 MEN1 (0.50) RAB9ANPC1TSHRABL1RIN1
SCHEMBL31429052 0.80 HPGD (0.43) CYP1A2CYP3A4CYP2D6CYP2C9RAB9A
SCHEMBL30163525 0.79 ALDH1A1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9RAB9A
SCHEMBL24976075 0.79 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9RAB9A
SCHEMBL31428621 0.77 HPGD (0.49) RAB9ANPC1HPGD
SCHEMBL24975816 0.77 HPGD (0.49) RAB9ANPC1HPGD
SCHEMBL24977227 0.76 KDM4E (0.40) RAB9ANPC1KMT2AL3MBTL1HPGD
SCHEMBL31428804 0.76 KDM4E (0.40) RAB9ANPC1KMT2AL3MBTL1HPGD

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS CYP1A2 3982/4885CYP3A4 4009/4885CYP2D6 3589/4885

“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.