SCHEMBL4160499

SCHEMBL4160499

Cc1ccccc1[N]CC1CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
CYP2C9 P11712 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRM3 P20309 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
HSD11B1 P28845 1/20 0.32
USP2 O75604 1/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL4167981 0.72 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL9004365 0.69 MAPT (0.34) USP2SIGMAR1
SCHEMBL442008 0.69 TSHR (0.43) CYP2C9LMNAMEN1KMT2ANPC1
SCHEMBL4163427 0.68 EPHX2 (0.37) NPC1RAB9ASIGMAR1OPRM1OPRD1
SCHEMBL4152944 0.68 P2RX7 (0.42) P2RX7CYP2C9LMNANPC1RAB9A
SCHEMBL4157883 0.68 HTR3E (0.41) MEN1KMT2ANPC1RAB9AESR1
SCHEMBL5982449 0.67 TSHR (0.41) CYP2C9LMNAMEN1KMT2ANPC1
SCHEMBL4149364 0.67 EPHX2 (0.40) NPC1RAB9ASIGMAR1OPRM1OPRD1
SCHEMBL8744089 0.67 USP2 (0.38) CYP2C9LMNAMEN1KMT2ANPC1
SCHEMBL20726621 0.66 SIGMAR1 (0.41) CYP2C9LMNAMEN1KMT2AESR1

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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 P2RX7 2513/4885CYP2C9 1113/4885LMNA 4048/4885

“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.