SCHEMBL2590397

SCHEMBL2590397

COC(=O)CCN1CCC(F)(c2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.49
S1PR5 Q9H228 2/20 0.47
KDM1A O60341 1/20 0.46
CACNA1C Q13936 1/20 0.46
EGFR P00533 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 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
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
MET P08581 1/20 0.43

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
SCHEMBL2586124 0.85 OPRM1 (0.47) ADAM17KDM1A
SCHEMBL2589090 0.82 LMNA (0.56) USP2MAPTMAPK1KMT2AESR2
Hydrochloric Acid SCHEMBL2581811 0.82 LMNA (0.55) USP2MAPTMAPK1KMT2AESR2
Hydrochloric Acid SCHEMBL2587759 0.81 HTT (0.54) KMT2A
SCHEMBL2583630 0.81 ADAM17 (0.46) ADAM17
SCHEMBL2589017 0.79 S1PR5 (0.39) ADAM17S1PR5ALDH1A1
Hydrochloric Acid SCHEMBL2582753 0.78 OPRL1 (0.49) S1PR5
SCHEMBL2588316 0.76 KDM1A (0.46) KDM1AALDH1A1
Hydrochloric Acid SCHEMBL2584425 0.75 KDM1A (0.46) KDM1AALDH1A1
SCHEMBL12041582 0.73 MAPT (0.69) EGFRUSP2MAPTMAPK1KMT2A

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 ADAM17 4036/4885S1PR5 2302/4885KDM1A 2818/4885

“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.