SCHEMBL6501892

SCHEMBL6501892

O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
PHGDH O43175 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
KLF5 Q13887 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC11A2 P49281 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NAMPT P43490 1/20 0.46
BCHE P06276 2/20 0.45

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
SCHEMBL6500009 0.86 PHGDH (0.49) TRPV1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL6503264 0.86 HTR1A (0.51) TRPV1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL6490805 0.82 HIF1A (0.64) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL6496056 0.82 MAPKAPK2 (0.66) SMN1; SMN2MAPTHTTNPC1RAB9A
SCHEMBL6490755 0.80 CA1 (0.51) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL6488706 0.80 TRPV1 (0.49) TRPV1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL6491879 0.80 HIF1A (0.46) ALDH1A1MAPKAPK2
SCHEMBL6501481 0.80 CA1 (0.52) KDM4EMAPTALDH1A1LMNAMAPKAPK2
SCHEMBL6680389 0.80 MAPKAPK2 (0.46) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL6488640 0.79 SRPK1 (0.51) MAPKAPK2

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 2245/4885SMN1; SMN2 1921/4885KDM4E 2286/4885

“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.