SCHEMBL891300

SCHEMBL891300

CC1CCC(C(C)C)C(C(=O)O)(C(N)(C(N)=O)c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM3 P20309 4/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
SLC6A2 P23975 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL891388 0.80 ALDH1A1 (0.31) MAPTKMT2ACYP2D6CYP1A2CYP2C9
SCHEMBL4191422 0.69 EPHX1 (0.36)
SCHEMBL27767356 0.67 NPC1 (0.40) KMT2ALMNANPC1L3MBTL1TRPM8
SCHEMBL7799804 0.66 L3MBTL1 (0.42) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL2120979 0.66 TP53 (0.36) MAPTKMT2ACYP1A2ALDH1A1LMNA
SCHEMBL112520 0.65 EPHX1 (0.37) CYP1A2HSD11B1
SCHEMBL20533656 0.64 GRM2 (0.39) HSD11B1
SCHEMBL20533654 0.64 GRM2 (0.39) HSD11B1
SCHEMBL5244036 0.64 NPSR1 (0.43) MAPTKMT2ALMNACCR2OPRL1
SCHEMBL12484267 0.64 NPSR1 (0.43) MAPTKMT2ALMNACCR2OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US disclosed
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP 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-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 MAPT 3585/4885KMT2A 4584/4885CYP2D6 3771/4885

“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.