SCHEMBL1328014

SCHEMBL1328014

CCc1ccc(C)nc1OCc1c(OCCN2CCOCC2)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
CRHR1 P34998 1/20 0.39
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2B P41595 2/20 0.38
HTR2C P28335 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADCY10 Q96PN6 1/20 0.37
POLB P06746 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
P2RY12 Q9H244 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL2139611 0.82 SMN1; SMN2 (0.49) CRHR1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4825137 0.80 PTPN1 (0.43) POLBCD274
SCHEMBL1327978 0.78 PRMT5 (0.43) CRHR1DRD1DRD4DRD5MEN1
SCHEMBL1327043 0.78 C5AR1 (0.38)
SCHEMBL1328677 0.77 CNR2 (0.36) CACNA2D1
SCHEMBL2138304 0.76 C5AR1 (0.35)
SCHEMBL2140956 0.76 ALDH1A1 (0.43) HTR1AHTR2BCD274
SCHEMBL1329066 0.73 GRM5 (0.38) HTR1ASMN1; SMN2
SCHEMBL1329649 0.72 PTGS1 (0.40) SMN1; SMN2P2RY12
SCHEMBL1328958 0.71 CYP2A13 (0.47) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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 (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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 HTR1A 199/4885HTR1D 276/4885HTR1B 195/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 HTR1A 199/4885HTR1D 276/4885HTR1B 195/4885

“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.