SCHEMBL4664685

SCHEMBL4664685

O=C(NCc1cccc(OC2CCNCC2)c1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.60
HPGD P15428 1/20 0.58
HRH1 P35367 1/20 0.57
FFAR1 O14842 1/20 0.56
MMP13 P45452 2/20 0.55
MAOA P21397 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CHRM3 P20309 1/20 0.53
NMT1 P30419 1/20 0.53
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ROCK2 O75116 1/20 0.49

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
SCHEMBL4930039 0.85 MAPK14 (0.58) MAPK14HPGDFFAR1MMP13MAOA
SCHEMBL4666181 0.85 OPRK1 (0.61) MAPK14HPGDFFAR1MMP13CHRM3
SCHEMBL4795082 0.85 MAPK14 (0.57) MAPK14HPGDHRH1FFAR1MMP13
SCHEMBL4933009 0.84 SLC5A7 (0.57) MAPK14HPGDFFAR1MMP13MAOA
SCHEMBL15028217 0.83 MMP13 (0.67) MAPK14HPGDHRH1MMP13CHRM3
SCHEMBL4932164 0.82 SLC5A7 (0.68) MAPK14HPGDFFAR1MMP13MAOA
SCHEMBL4934168 0.82 MAPK14 (0.56) MAPK14HPGDFFAR1MMP13MAOA
SCHEMBL4934170 0.82 MAPK14 (0.56) MAPK14HPGDFFAR1MMP13MAOA
SCHEMBL4773909 0.81 POLB (0.60) MAPK14HPGDFFAR1MMP13MAOA
Hydrochloric Acid SCHEMBL4934174 0.81 MAPK14 (0.55) MAPK14HPGDFFAR1MMP13MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 US claimed
US-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
EP-1891065-A1 NOVEL MCHR1 ANTAGONISTS AND THEIR USE FOR THE TREATMENT OF MCHR1 MEDIATED CONDITIONS AND DISORDERS AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006130075-A1 NOVEL MCHR1 ANTAGONISTS AND THEIR USE FOR THE TREATMENT OF MCHR1 MEDIATED CONDITIONS AND DISORDERS ASTRAZENECA AB (SE) 2006-12-07 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-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders MCHR1, MCHR2, HCRTR1 MAPK14 2430/4885HPGD 2402/4885HRH1 99/4885

“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.