SCHEMBL4089058

SCHEMBL4089058

CCCCCNC(=O)c1cn2c(n1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
TP53 P04637 5/20 0.42
ROCK1 Q13464 1/20 0.41
HPGD P15428 2/20 0.40
NAAA Q02083 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
WDR5 P61964 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
METTL3 Q86U44 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
SCHEMBL18377471 0.78 HDAC1 (0.50) HDAC1HDAC2ADORA2AADORA1TP53
SCHEMBL3663994 0.73 PDE10A (0.35) KDM4EADORA2AADORA1HPGDMAPK1
SCHEMBL3664352 0.72 ADORA2A (0.36) KDM4EADORA2AADORA1HPGDMAPK1
SCHEMBL3663280 0.70 ADORA2A (0.40) ADORA2AADORA1NAAANPSR1MAPT
SCHEMBL17321413 0.70 ALDH1A1 (0.42) HDAC1HDAC2KDM4ETP53ROCK1
SCHEMBL4932341 0.67 KDM4E (0.48) KDM4EADORA2AADORA1TP53HPGD
SCHEMBL30545065 0.66 HPGD (0.64) KDM4EADORA2AADORA1HPGDNAAA
SCHEMBL31500520 0.65 LMNA (0.57) KDM4EADORA2AADORA1HPGDNAAA
SCHEMBL17580836 0.65 NAAA (0.54) KDM4EHPGDNAAALMNATSHR
SCHEMBL377245 0.65 EPHX1 (0.54) KDM4EHPGDNAAALMNATSHR

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-8288424-B2 Substituted tetrahydroimidazopyridine compounds and the use thereof in the treatment of pain and other conditions GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-07-23 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-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions HRH4, TRPV1, QDPR HDAC1 477/4885HDAC2 670/4885KDM4E 1006/4885

“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.