SCHEMBL14713294

SCHEMBL14713294

O=C(CCN1CCC(F)(c2cccc(O)c2)CC1)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.53
OPRM1 P35372 3/20 0.51
OPRD1 P41143 3/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47

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 SCHEMBL2579712 0.99 LMNA (0.57) LMNAKMT2AALDH1A1POLBCYP2C19
SCHEMBL14713320 0.83 OPRM1 (0.57) OPRM1OPRD1
Hydrochloric Acid SCHEMBL2587757 0.82 OPRM1 (0.56) LMNAKMT2AOPRM1OPRD1
SCHEMBL2589090 0.79 LMNA (0.56) LMNAKMT2AALDH1A1POLBOPRM1
Hydrochloric Acid SCHEMBL2581811 0.78 LMNA (0.55) LMNAKMT2AALDH1A1POLBOPRM1
SCHEMBL12175560 0.76 OPRM1 (0.64) OPRM1OPRD1
Hydrochloric Acid SCHEMBL2580003 0.75 OPRM1 (0.62) OPRM1OPRD1
SCHEMBL12175520 0.75 OPRL1 (0.60) OPRM1OPRD1
Hydrochloric Acid SCHEMBL2586529 0.74 OPRL1 (0.59) OPRM1OPRD1
SCHEMBL2590136 0.74 ALDH1A1 (0.46) LMNAKMT2AALDH1A1MEN1SMN1; SMN2

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 4 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-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
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 LMNA 4808/4885KMT2A 3068/4885ALDH1A1 1107/4885

“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.