SCHEMBL1328362

SCHEMBL1328362

CCc1cccc(CC)c1-c1nc(C)c(CN(Cc2ccccc2)C(C)C)c(OC)c1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CRHR1 P34998 1/20 0.33
NR3C1 P04150 2/20 0.33
MAPT P10636 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CASR P41180 1/20 0.31
ATM Q13315 1/20 0.31
BCHE P06276 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL1328114 0.91 CRHR1 (0.33) TSHRNPSR1CRHR1NR3C1POLB
SCHEMBL2139013 0.87 SMN1; SMN2 (0.43) ALDH1A1TSHRGAACRHR1MAPT
SCHEMBL1327491 0.82 BCHE (0.38) CRHR1MAPTBCHE
SCHEMBL1327565 0.82 L3MBTL1 (0.35) MEN1KMT2A
SCHEMBL1327638 0.82 BCHE (0.33) ALDH1A1TSHRGAANPSR1CRHR1
SCHEMBL1327840 0.81 PDCD1LG2 (0.35) ALDH1A1CRHR1MAPTSMN1; SMN2BCHE
SCHEMBL1328091 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL1328135 0.79 C5AR1 (0.42) ALDH1A1TSHRNPSR1
SCHEMBL2138370 0.78 MEN1 (0.43) ALDH1A1POLBSMN1; SMN2BCHEMEN1
SCHEMBL1327480 0.78 CRHR1 (0.38) ALDH1A1TSHRGAANPSR1CRHR1

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 ALDH1A1 1966/4885TSHR 231/4885GAA 4839/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ALDH1A1 1966/4885TSHR 231/4885GAA 4839/4885

“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.