Heptylformamide

Heptylformamide

SCHEMBL3268995

CCCCCCCNC=O.Nc1nc(-c2ccco2)c2nc[nH]c2n1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.47
ADORA1 P30542 13/20 0.47
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 4/20 0.37
ADORA2B P29275 4/20 0.37
PDE4B Q07343 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
SCHEMBL3267731 1.00 ADORA2A (0.47) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL3267686 0.99 ADORA2A (0.48) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL3269381 0.97 ADORA2A (0.48) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL6948083 0.82 ADORA2A (0.63) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL8826174 0.70 TLR8 (0.50) L3MBTL1
SCHEMBL14002417 0.70 ADORA2A (0.46) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL3268989 0.69 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3267727 0.69 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL14002327 0.69 MEN1 (0.54) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL3267678 0.68 ADORA2A (0.73) ADORA2AADORA1ADORA3ADORA2B

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
EP-1349857-B1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2010-06-16 EP disclosed
US-20060270691-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-11-30 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-20060270691-A1 Purine derivatives as purinergic receptor antagonists CHRNA10, CHRNA5, CHRNA4 ADORA2A 14/4885ADORA1 17/4885KDM4E 3528/4885

“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.