SCHEMBL2589516

SCHEMBL2589516

CC1CN(CCC(=O)Nc2ccc(Br)cc2)CCC1(F)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRM1 P35372 5/20 0.44
OPRD1 P41143 4/20 0.44
TP53 P04637 1/20 0.44
OPRK1 P41145 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
EPHX2 P34913 2/20 0.41

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
Hydrochloric Acid SCHEMBL2590334 0.99 LMNA (0.48) LMNAMAPTRAB9AGAASMN1; SMN2
SCHEMBL2589090 0.86 LMNA (0.56) LMNAMAPTRAB9AOPRM1OPRD1
Hydrochloric Acid SCHEMBL2581811 0.85 LMNA (0.55) LMNAMAPTRAB9AOPRM1OPRD1
SCHEMBL2586124 0.85 OPRM1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL14713320 0.81 OPRM1 (0.57) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2587757 0.81 OPRM1 (0.56) LMNAOPRM1OPRD1OPRK1KMT2A
Hydrochloric Acid SCHEMBL2586592 0.79 LTA4H (0.46) OPRM1OPRD1OPRK1HTTLTA4H
Hydrochloric Acid SCHEMBL2577021 0.78 OPRM1 (0.56) OPRM1OPRD1OPRK1KMT2AHTT
SCHEMBL2581589 0.76 ADAM17 (0.43) OPRM1OPRK1
Hydrochloric Acid SCHEMBL2581407 0.74 OPRM1 (0.42) OPRM1OPRD1OPRK1

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 3 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
WO-2011137331-A2 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES LLC (US) 2011-11-03 WO 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 LMNA 4808/4885MAPT 1262/4885RAB9A 1907/4885

“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.