SCHEMBL6470817

SCHEMBL6470817

CCCCN(CCCC)c1cncc(C(N)=O)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 1/20 0.35
MC4R P32245 1/20 0.35
ADRA1A P35348 1/20 0.35
MC3R P41968 1/20 0.35
HCAR3 P49019 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
EPHX2 P34913 1/20 0.32
DGAT1 O75907 3/20 0.32

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
SCHEMBL6468479 0.87 PIM2 (0.39) CNR1ADORA3TSHRMC4RADRA1A
SCHEMBL6470819 0.76 CDK2 (0.35) CNR1LMNAKDM4EMEN1KMT2A
SCHEMBL6469271 0.72 SIRT6 (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL6469123 0.71 HCAR3 (0.46) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL7109264 0.70 TSHR (0.56) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL5133216 0.69 NNMT (0.41) HCAR3KDM4EMEN1KMT2A
SCHEMBL7573577 0.68 ADORA3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL5042470 0.67 HCAR3 (0.46) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL4864337 0.66 GABRP (0.38) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL3743154 0.65 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA CNR1 958/4885ADORA3 92/4885TSHR 1417/4885

“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.