SCHEMBL14713246

SCHEMBL14713246

CC(C)CC(Cc1ccccc1)(C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TRPA1 O75762 1/20 0.42
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
KCNH2 Q12809 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
MRGPRX2 Q96LB1 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 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
SCHEMBL19690695 0.83 CYP2C19 (0.46) SMN1; SMN2HIF1ANPC1RAB9ATRPA1
SCHEMBL6158106 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ANPC1RAB9ATRPA1
SCHEMBL6981175 0.77 CTSS (0.37) TRPA1MAPTPPARGPPARA
SCHEMBL24236755 0.77 TRPA1 (0.47) SMN1; SMN2HIF1ANPC1RAB9ATRPA1
SCHEMBL21834963 0.77 TRPA1 (0.47) SMN1; SMN2HIF1ANPC1RAB9ATRPA1
SCHEMBL21834962 0.77 TRPA1 (0.47) SMN1; SMN2HIF1ANPC1RAB9ATRPA1
SCHEMBL8896841 0.76 ALDH1A1 (0.40) SMN1; SMN2HIF1ANPC1RAB9ATRPA1
SCHEMBL23277194 0.76 TRPA1 (0.48) SMN1; SMN2HIF1ATRPA1GAACYP1A2
SCHEMBL2466818 0.75 SMN1; SMN2 (0.44) SMN1; SMN2HIF1ANPC1RAB9ATRPA1
SCHEMBL19387334 0.75 SMN1; SMN2 (0.44) SMN1; SMN2HIF1ANPC1RAB9ATRPA1

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-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 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-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS OPRD1, OPRK1, OPRM1 SMN1; SMN2 3721/4885HIF1A 2352/4885NPC1 2673/4885

“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.