SCHEMBL4227919

SCHEMBL4227919

CNCc1cccc(OC2CCN(C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 3/20 0.50
CARM1 Q86X55 2/20 0.50
HRH3 Q9Y5N1 1/20 0.47
UTS2R Q9UKP6 1/20 0.46
SLC5A7 Q9GZV3 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH1 P35367 1/20 0.42
OPRK1 P41145 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL3288175 0.83 OPRK1 (0.46) PRMT6CARM1HRH3SLC5A7SMN1; SMN2
SCHEMBL4666227 0.82 DRD2 (0.47) UTS2RSLC5A7SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4228960 0.82 SMN1; SMN2 (0.48) PRMT6CARM1HRH3SLC5A7SMN1; SMN2
SCHEMBL12696890 0.82 DUT (0.47) PRMT6CARM1HRH1
SCHEMBL4770681 0.81 SMN1; SMN2 (0.46) PRMT6CARM1HRH3UTS2RSLC5A7
SCHEMBL4664223 0.81 KDM4E (0.58) PRMT6CARM1HRH3UTS2RSLC5A7
SCHEMBL4228506 0.81 SLC6A2 (0.58) PRMT6CARM1OPRK1
SCHEMBL4228503 0.81 SLC6A2 (0.58) PRMT6CARM1OPRK1
SCHEMBL4666177 0.80 SLC5A7 (0.46) HRH3UTS2RSLC5A7SMN1; SMN2MEN1
SCHEMBL12408709 0.80 FFAR4 (0.44) PRMT6

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-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 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
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-2007078251-A1 COMPOUNDS ASTRAZENECA AB (SE) 2007-07-12 WO 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 (2 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-20090076064-A1 Compounds CEL, PLA2G2D, CCKBR PRMT6 1987/4885CARM1 3006/4885HRH3 288/4885
US-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders MCHR1, MCHR2, HCRTR1 PRMT6 436/4885CARM1 761/4885HRH3 116/4885

“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.