SCHEMBL6714759

SCHEMBL6714759

COc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C1CCN(C(C)C)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.70
▸ LMNA P02545 9/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ GAA P10253 2/20 0.62
▸ TSHR P16473 3/20 0.59
▸ USP2 O75604 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HTT P42858 4/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTR1A P08908 3/20 0.51
▸ HTR1D P28221 3/20 0.51
▸ HTR1B P28222 3/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR6 P50406 1/20 0.51

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
SCHEMBL6717896 0.89 HTR1A (0.61) MAPTLMNASMN1; SMN2HSD17B10GAA
SCHEMBL6716499 0.88 PANK3 (0.58) MAPTGAATSHRALOX15HTT
SCHEMBL6714948 0.88 CA12 (0.55) MAPTLMNASMN1; SMN2HSD17B10GAA
SCHEMBL6714762 0.87 MAPT (0.68) MAPTLMNASMN1; SMN2HSD17B10GAA
SCHEMBL6718478 0.86 MAPT (0.55) MAPTSMN1; SMN2HTR1AHTR1DHTR1B
SCHEMBL6718189 0.85 MAPT (0.50) MAPTLMNASMN1; SMN2HSD17B10GAA
SCHEMBL6717551 0.85 MAPT (0.58) MAPTLMNASMN1; SMN2HSD17B10GAA
SCHEMBL6724719 0.84 HTR1A (0.52) MAPTSMN1; SMN2HTR1AHTR1DHTR1B
SCHEMBL6716662 0.84 RBP4 (0.49) MAPTLMNAGAATSHRMAPK1
SCHEMBL6714587 0.84 KDM4E (0.61) MAPTLMNASMN1; SMN2HSD17B10POLB

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 MAPT 1705/4885LMNA 4285/4885SMN1; SMN2 3508/4885

“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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