SCHEMBL5290177

SCHEMBL5290177

Cc1coc(C2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
PTGS2 P35354 3/20 0.34
TRPV1 Q8NER1 2/20 0.33
ADCY1 Q08828 1/20 0.33

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
SCHEMBL10087966 0.94 NPC1 (0.37) NPC1RAB9AALDH1A1LMNAPOLB
SCHEMBL15046892 0.90
SCHEMBL25357669 0.79 TRPV1 (0.34) ALDH1A1TRPV1SLC6A2SLC6A4SLC6A3
SCHEMBL13407530 0.79 HTR2A (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL13179085 0.78 ALDH1A1 (0.41) NPC1RAB9AALDH1A1CYP2C19CYP1A2
SCHEMBL15448434 0.78 TRPV1 (0.33) RAB9AALDH1A1SMN1; SMN2TRPV1SLC6A2
SCHEMBL13407531 0.78 KCNH2 (0.38) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5290171 0.76 ALDH1A1 (0.39) NPC1RAB9AALDH1A1LMNAPOLB
SCHEMBL2573700 0.76 SLC6A2 (0.41) TRPV1SLC6A2SLC6A4SLC6A3
SCHEMBL13179272 0.76 RAB9A (0.36) NPC1RAB9AALDH1A1LMNAPOLB

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
CN-101272784-A Phenyl- and pyridinyl- 1, 2 , 4 - oxadiazolone derivatives, processes for their preparation and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-09-24 CN 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 (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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 NPC1 4197/4885RAB9A 20/4885ALDH1A1 2972/4885

“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.