SCHEMBL5287237

SCHEMBL5287237

Cc1cc(-c2ccccc2)nn1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
P2RY6 Q15077 6/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KMT2A Q03164 2/20 0.41
LDHA P00338 1/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
PTGS2 P35354 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4987169 0.84 RAB9A (0.46) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL10205949 0.84 RAB9A (0.46) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL2766205 0.83 NPC1 (0.43) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL23400674 0.80 P2RY6 (0.43) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL5287227 0.80 P2RY6 (0.43) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL4714412 0.80 SMN1; SMN2 (0.54) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL2766528 0.80 KDM4E (0.43) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL11886209 0.79 P2RY6 (0.43) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL11624280 0.78 LDHA (0.42) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL20812769 0.76 HTT (0.48) HPGDSMN1; SMN2KDM4EP2RY6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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 (2 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 NPC1 4197/4885RAB9A 20/4885HPGD 1825/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 NPC1 236/4885RAB9A 888/4885HPGD 1850/4885

“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.