SCHEMBL2589017

SCHEMBL2589017

OC(CCN1CCC(F)(c2cccc(OCc3ccccc3)c2)CC1)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.39
ADAM17 P78536 2/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 1/20 0.38
NAAA Q02083 1/20 0.38
NPY1R P25929 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 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
SCHEMBL12175503 0.86 OPRD1 (0.45)
Hydrochloric Acid SCHEMBL2581708 0.85 OPRD1 (0.44)
Hydrochloric Acid SCHEMBL2587759 0.82 HTT (0.54) GRIN1GRIN2BHTT
Hydrochloric Acid SCHEMBL2582753 0.79 OPRL1 (0.49) S1PR5GRIN1GRIN2BLTA4H
SCHEMBL2590397 0.79 ADAM17 (0.49) S1PR5ADAM17ALDH1A1
SCHEMBL2588316 0.79 KDM1A (0.46) MAOBNPC1RAB9AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2584425 0.78 KDM1A (0.46) MAOBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2583630 0.78 ADAM17 (0.46) ADAM17MAOB
SCHEMBL2589090 0.76 LMNA (0.56) NPC1RAB9AALDH1A1HTTL3MBTL1
Hydrochloric Acid SCHEMBL2581811 0.75 LMNA (0.55) NPC1RAB9AALDH1A1HTTL3MBTL1

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 S1PR5 2302/4885ADAM17 4036/4885MAOB 921/4885

“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.