SCHEMBL6501026

SCHEMBL6501026

O=C(Nc1ccc2c(c1)C(=O)N(CCc1ccccn1)C2)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.46
MTTP P55157 2/20 0.42
APOB P04114 1/20 0.42
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
PTGES O14684 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ITGA2 P17301 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SLC11A2 P49281 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 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
SCHEMBL6489158 0.84 SMO (0.46) SMOMTTPAPOBTRPV1HTR2A
SCHEMBL6487662 0.80 TRPV1 (0.49) SMOMTTPAPOBTRPV1NR3C1
SCHEMBL6487840 0.79 TRPV1 (0.48) SMOMTTPAPOBTRPV1NR3C1
SCHEMBL6500685 0.79 TRPV1 (0.48) SMOMTTPAPOBTRPV1NR3C1
SCHEMBL6500678 0.79 TRPV1 (0.48) SMOMTTPAPOBTRPV1NR3C1
SCHEMBL6503264 0.79 HTR1A (0.51) KCNH2TRPV1
SCHEMBL6488986 0.78 TRPV1 (0.49) SMOMTTPAPOBTRPV1NR3C1
SCHEMBL6488729 0.78 TRPV1 (0.51) SMOMTTPAPOBTRPV1NR3C1
SCHEMBL6503252 0.78 TRPV1 (0.47) SMOMTTPAPOBTRPV1NR3C1
SCHEMBL6490251 0.76 NPC1 (0.43) SMOMTTPAPOBTRPV1HTR2A

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SMO 2580/4885MTTP 677/4885APOB 1/4885

“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.