SCHEMBL2959095

SCHEMBL2959095

Cn1nc(C2CCN(C(=O)OC(C)(C)C)CC2)c2cccc(C(F)(F)F)c21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.48
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
CNR1 P21554 1/20 0.44
SSTR4 P31391 2/20 0.43
THRB P10828 2/20 0.42
TP53 P04637 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
P2RX7 Q99572 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL31426765 0.81 CNR1 (0.50) RBP4JAK2JAK1TYK2JAK3
SCHEMBL27141837 0.81 CNR1 (0.50) RBP4JAK2JAK1TYK2JAK3
SCHEMBL2962549 0.80 GPR119 (0.46) RBP4JAK2JAK1TYK2JAK3
SCHEMBL1458678 0.78 TRPV1 (0.59) JAK2JAK1TYK2JAK3THRB
SCHEMBL29897298 0.78 TRPV1 (0.59) JAK2JAK1TYK2JAK3THRB
SCHEMBL24330000 0.78 GPR119 (0.51) JAK2JAK1TYK2JAK3CNR1
SCHEMBL6321078 0.78 RBP4 (0.66) RBP4GPR119
SCHEMBL23780139 0.77 RBP4 (0.52) RBP4THRBGPR119P2RX7KDM4E
SCHEMBL13201107 0.76 HTR2C (0.50) RBP4SSTR4
SCHEMBL26635751 0.75 DDB1 (0.61) JAK2JAK1TYK2JAK3THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-7772218-B2 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one SRI INTERNATIONAL (US) 2010-08-10 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
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-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-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-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 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
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
EP-1632483-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2006-03-08 EP 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-20050009801-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one PETERS RICHARD H (US) 2005-01-13 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
US-6784170-B2 TREATMENT OF PROSTATE DISORDERS SUCH AS PROSTATIC CANCER SRI INTERNATIONAL 2004-08-31 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-2002066446-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO disclosed
US-20010039269-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one SRI INTERNATIONAL 2001-11-08 US 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 (4 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-20010039269-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one NR5A1, HSD17B11, CYP17A1 RBP4 1996/4885JAK2 4425/4885JAK1 4104/4885
US-20050009801-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one CYP17A1, NR5A1, HSD17B11 RBP4 2205/4885JAK2 4499/4885JAK1 4067/4885
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor DRD3, DRD2, DRD1 RBP4 1886/4885JAK2 663/4885JAK1 845/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C RBP4 1529/4885JAK2 566/4885JAK1 772/4885

“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.