SCHEMBL6503252

SCHEMBL6503252

O=C(Nc1ccc(OCCc2ccccn2)cc1)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
SMO Q99835 2/20 0.44
RHOA P61586 1/20 0.43
NR3C1 P04150 2/20 0.42
MTTP P55157 2/20 0.41
APOB P04114 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6492058 0.89 HTR2C (0.50) TRPV1SMORHOANR3C1MTTP
SCHEMBL6487662 0.88 TRPV1 (0.49) TRPV1SMONR3C1MTTPAPOB
SCHEMBL6503188 0.88 NPC1 (0.45) KDM4ENPC1MITFPKMRAB9A
SCHEMBL6500685 0.87 TRPV1 (0.48) TRPV1SMONR3C1MTTPAPOB
SCHEMBL6500678 0.87 TRPV1 (0.48) TRPV1SMONR3C1MTTPAPOB
SCHEMBL6487840 0.87 TRPV1 (0.48) TRPV1SMONR3C1MTTPAPOB
SCHEMBL6501432 0.87 ITGB1 (0.42) TRPV1
SCHEMBL6488986 0.86 TRPV1 (0.49) TRPV1SMONR3C1MTTPAPOB
SCHEMBL6488729 0.86 TRPV1 (0.51) TRPV1SMONR3C1MTTPAPOB
SCHEMBL6490538 0.83 CHRNB2 (0.38) SMOMTTPAPOB

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 TRPV1 2245/4885SMO 2580/4885RHOA 3960/4885

“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.