SCHEMBL6714587

SCHEMBL6714587

COc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C1CCN(C(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ PANK3 Q9H999 1/20 0.59
▸ MAPT P10636 4/20 0.54
▸ HRH3 Q9Y5N1 3/20 0.53
▸ TRPV1 Q8NER1 3/20 0.53
▸ PKM P14618 1/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ HTR1A P08908 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ HTR1B P28222 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48

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
SCHEMBL6720386 0.88 KDM4E (0.59) KDM4ELMNAHTTSMN1; SMN2MAPK1
SCHEMBL6714759 0.84 MAPT (0.70) LMNAHTTSMN1; SMN2MAPK1HSD17B10
SCHEMBL6714794 0.84 MEN1 (0.46) KDM4EHSD17B10PANK3NAMPTALDH1A1
SCHEMBL6724719 0.80 HTR1A (0.52) SMN1; SMN2MAPTHTR1AHTR1DHTR1B
SCHEMBL6718478 0.80 MAPT (0.55) SMN1; SMN2MAPTHTR1AHTR1DHTR1B
SCHEMBL6718189 0.79 MAPT (0.50) LMNAHTTSMN1; SMN2MAPK1HSD17B10
SCHEMBL6716662 0.79 RBP4 (0.49) LMNAMAPK1MAPTHTR1AHTR1D
SCHEMBL6717719 0.79 HTR1A (0.52) SMN1; SMN2PANK3MAPTHTR1AHTR1D
SCHEMBL6718825 0.79 HTR1A (0.47) SMN1; SMN2MAPTHTR1AHTR1DHTR1B
SCHEMBL6714770 0.78 HTR1A (0.56) LMNAHTTSMN1; SMN2MAPK1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 — — EP claimed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 — — US claimed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 — — EP claimed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — WO claimed
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 — — EP disclosed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 — — US disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 — — EP disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — 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-20040038982-A1 Compounds and methods CCR5, CXCR3, CCR2 KDM4E 4452/4885LMNA 4285/4885HTT 2629/4885

“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.

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