SCHEMBL16256357

SCHEMBL16256357

O=C(OC(C1CCCCC1)C1CCC(F)(F)CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ATM Q13315 1/20 0.40
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL17680175 0.94 TSHR (0.45) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL842289 0.89 LMNA (0.58) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16237884 0.87 SLC6A4 (0.39) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16256370 0.83 LMNA (0.51) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16256359 0.83 LMNA (0.42) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16237279 0.82 LMNA (0.52) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL23466842 0.81 CYP1A2 (0.48) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL28806235 0.81 TSHR (0.55) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16237748 0.81 CYP1A2 (0.51) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL17680189 0.81 LMNA (0.54) LMNACYP1A2CYP2D6SCN1ASCN2A

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-20160102058-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2016-04-14 US disclosed
US-20160102058-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2016-04-14 US disclosed
WO-2014184561-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2014-11-20 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-20160102058-A1 FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE CPT2, CPT1A, CPT1B LMNA 1846/4885CYP1A2 517/4885CYP2D6 693/4885

“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.