SCHEMBL16750366

SCHEMBL16750366

CC(=O)CCc1ccc(Cl)c(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PYGL P06737 1/20 0.41
KMT2A Q03164 1/20 0.39
PDPK1 O15530 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
SCHEMBL16750370 0.87 NPC1 (0.46) NPC1RAB9AKDM4ELMNATP53
SCHEMBL4718026 0.82 PYGL (0.57) NPC1RAB9AKDM4ELMNATP53
SCHEMBL15053451 0.81 FFAR1 (0.39) NPC1RAB9AKDM4ELMNATP53
SCHEMBL10186629 0.77 KDM4E (0.39) NPC1RAB9AKDM4ELMNATP53
SCHEMBL19001409 0.76 SKP2 (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL22209184 0.76 CA2 (0.56) NPC1RAB9AKDM4ELMNATP53
SCHEMBL19000273 0.75 SIGMAR1 (0.44) KDM4ELMNATP53CYP3A4SLC6A2
SCHEMBL31460200 0.74 CYP4F2 (0.44) NPC1RAB9AKDM4ELMNATP53
SCHEMBL18982153 0.74 RECQL (0.39) NPC1RAB9ATP53MAPTSLC6A2
SCHEMBL10752762 0.74 IDO1 (0.50) NPC1RAB9AKDM4ELMNATP53

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR NPC1 3119/4885RAB9A 2262/4885KDM4E 2830/4885

“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.