SCHEMBL2955859

SCHEMBL2955859

COC(=O)[C@@H]1C[C@H]1CN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.38
MAPT P10636 5/20 0.38
DRD4 P21917 2/20 0.37
HTR2A P28223 2/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SRPK1 Q96SB4 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2955868 1.00 ADRA1A (0.38) ADRA1AMAPTDRD4HTR2ATP53
SCHEMBL2957073 1.00 ADRA1A (0.38) ADRA1AMAPTDRD4HTR2ATP53
SCHEMBL2957077 1.00 ADRA1A (0.38) ADRA1AMAPTDRD4HTR2ATP53
SCHEMBL2955865 1.00 ADRA1A (0.38) ADRA1AMAPTDRD4HTR2ATP53
SCHEMBL2958105 0.89 FFAR4 (0.40) ADRA1AMAPTDRD4HTR2ATP53
SCHEMBL2965755 0.89 FFAR4 (0.40) ADRA1AMAPTDRD4HTR2ATP53
SCHEMBL2958104 0.89 FFAR4 (0.40) ADRA1AMAPTDRD4HTR2ATP53
SCHEMBL2963497 0.89 FFAR4 (0.40) ADRA1AMAPTDRD4HTR2ATP53
SCHEMBL2959377 0.89 FFAR4 (0.40) ADRA1AMAPTDRD4HTR2ATP53
SCHEMBL2963492 0.89 FFAR4 (0.40) ADRA1AMAPTDRD4HTR2ATP53

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357704-B2 Fused heterocyclic compounds as inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US claimed
US-20100247534-A1 FUSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US claimed
US-20050250783-A1 Fused heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US claimed
US-8357704-B2 Fused heterocyclic compounds as inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20100247534-A1 FUSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-7772232-B2 Quinazolinyl compounds as inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
EP-1935887-B1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA INC (US) 2010-01-13 EP disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
EP-1362039-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2005-12-21 EP disclosed
US-20050250783-A1 Fused heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US disclosed
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2005-05-19 US disclosed
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor AVENTIS PHARMACEUTICAL INC. (US) 2004-11-04 US disclosed
EP-1392676-A2 HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US disclosed
EP-1362039-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals, Inc. (US) 2003-11-19 EP disclosed
WO-2002066468-A2 HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO disclosed
WO-2002066446-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 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 (6 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-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 ADRA1A 332/4885MAPT 346/4885DRD4 10/4885
US-20100247534-A1 FUSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNH2, KCNH3, KCNB1 ADRA1A 1172/4885MAPT 4289/4885DRD4 292/4885
US-20050250783-A1 Fused heterocyclic compounds CCNY, CCNH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADRA1A 1264/4885MAPT 4011/4885DRD4 19/4885
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 ADRA1A 313/4885MAPT 421/4885DRD4 13/4885
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor DRD3, DRD2, DRD1 ADRA1A 500/4885MAPT 257/4885DRD4 8/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C ADRA1A 532/4885MAPT 286/4885DRD4 9/4885

“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.