SCHEMBL4417669

SCHEMBL4417669

CCc1cccc(CC)c1-c1cc(CN)c(CN2CCc3ccccc3C2)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.42
LMNA P02545 2/20 0.42
CD44 P16070 1/20 0.42
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
DHFR P00374 1/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
SPR P35270 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1329134 0.90 LMNA (0.44) C5AR1LMNACD44KDM4EGAA
SCHEMBL1329650 0.89 LMNA (0.46) C5AR1LMNACD44KDM4EGAA
SCHEMBL4825967 0.87 LMNA (0.41) C5AR1LMNACD44KDM4EGAA
SCHEMBL4417666 0.85 KMT2A (0.45) C5AR1LMNACD44KDM4EGAA
SCHEMBL1329410 0.85 C5AR1 (0.54) C5AR1LMNAKDM4EKMT2AHTT
SCHEMBL2141626 0.84 LMNA (0.39) C5AR1LMNACD44KDM4EGAA
SCHEMBL1327766 0.84 LMNA (0.39) C5AR1LMNACD44KDM4EGAA
SCHEMBL1327354 0.83 C5AR1 (0.44) C5AR1LMNACD44KDM4EKMT2A
SCHEMBL1327356 0.82 C5AR1 (0.46) C5AR1LMNACD44KDM4EGAA
SCHEMBL2140419 0.82 LMNA (0.38) C5AR1LMNACD44KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885LMNA 3672/4885CD44 4561/4885

“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.