SCHEMBL6489158

SCHEMBL6489158

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.46
MTTP P55157 2/20 0.44
APOB P04114 1/20 0.44
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
ABCB1 P08183 6/20 0.41
ABCG2 Q9UNQ0 6/20 0.41
HRH1 P35367 1/20 0.40
HTR6 P50406 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
NAMPT P43490 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
SCHEMBL6489620 0.88 ABCB1 (0.51) ABCB1ABCG2
SCHEMBL6498905 0.88 ABCB1 (0.42) SMOMTTPAPOBABCB1ABCG2
SCHEMBL6496773 0.88 ABCB1 (0.40) SMOMTTPAPOBABCB1ABCG2
SCHEMBL8201197 0.87 SMO (0.63) SMOMTTPAPOBHTR2AHTR2C
SCHEMBL6503264 0.84 HTR1A (0.51) TRPV1
SCHEMBL6487457 0.84 DRD2 (0.47) SMOMTTPAPOBABCB1ABCG2
SCHEMBL6501026 0.84 SMO (0.46) SMOMTTPAPOBHTR2AHTR2C
SCHEMBL6491779 0.81 ACACB (0.43) MTTPAPOB
SCHEMBL6487662 0.81 TRPV1 (0.49) SMOMTTPAPOBTRPV1NAMPT
SCHEMBL6489031 0.80 HTR2A (0.51) SMOMTTPAPOBHTR2AHTR2C

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.