SCHEMBL6646229

SCHEMBL6646229

CCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(OC)=N1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.39
ADRA1A P35348 6/20 0.39
ADRA1B P35368 6/20 0.39
CACNA1F O60840 3/20 0.38
CACNA1D Q01668 3/20 0.38
CACNA1S Q13698 3/20 0.38
CACNA1C Q13936 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34

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
SCHEMBL8523310 0.94 CACNA1F (0.39) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6784838 0.93 ADRA1A (0.39) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6715281 0.92 BCL9 (0.35) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6715274 0.92 BCL9 (0.35) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6216267 0.89 PDE1C (0.38) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6194063 0.89 CACNA1F (0.41) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6196841 0.85 MEN1 (0.35) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL7978679 0.83 PDE1C (0.39) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL7529769 0.82 MGLL (0.36) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL6782160 0.82 ADRA1A (0.36) ADRA1DADRA1AADRA1BCACNA1FCACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-12-02 US disclosed
EP-1299362-A4 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2004-11-03 EP disclosed
US-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 US disclosed
EP-1299362-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2003-04-09 EP disclosed
WO-2002006245-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMARCEUTICAL 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 (5 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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ADRA1D 247/4885ADRA1A 224/4885ADRA1B 306/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ADRA1D 100/4885ADRA1A 88/4885ADRA1B 143/4885
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ADRA1D 149/4885ADRA1A 161/4885ADRA1B 156/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ADRA1D 247/4885ADRA1A 224/4885ADRA1B 306/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ADRA1D 149/4885ADRA1A 161/4885ADRA1B 156/4885

“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.