SCHEMBL6714842

SCHEMBL6714842

COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1C1CCN(C(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.64
▸ HTR1D P28221 10/20 0.64
▸ HTR1B P28222 10/20 0.64
▸ HTR2C P28335 5/20 0.64
▸ HTR6 P50406 5/20 0.64
▸ HTR2A P28223 4/20 0.64
▸ HTR7 P34969 2/20 0.64
▸ RBP4 P02753 1/20 0.56
▸ MAPT P10636 4/20 0.56
▸ GAA P10253 1/20 0.54
▸ MALT1 Q9UDY8 1/20 0.54
▸ RAB9A P51151 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL6717731 0.94 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717515 0.93 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714916 0.93 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717656 0.91 HTR1A (0.64) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714874 0.89 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6720399 0.88 MAPT (0.59) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717719 0.87 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714745 0.87 HTR1A (0.51) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6716499 0.87 PANK3 (0.58) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717567 0.87 MAPT (0.58) HTR1AHTR1DHTR1BHTR2CHTR6

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 HTR1A 651/4885HTR1D 887/4885HTR1B 860/4885

“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.

Send feedback