SCHEMBL3764571

SCHEMBL3764571

Nc1nc2c(c(N3CCC(N)C3)n1)CCCCC2

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.66
HRH3 Q9Y5N1 3/20 0.61
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL602441 0.99 HRH4 (0.67) HRH4HRH3CDK9CCNT1KDM4E
SCHEMBL602440 0.99 HRH4 (0.67) HRH4HRH3CDK9CCNT1KDM4E
SCHEMBL3753632 0.96 HRH4 (0.67) HRH4HRH3CDK9
SCHEMBL601815 0.86 HRH4 (0.58) HRH4HRH3KDM4E
SCHEMBL12225994 0.83 HRH4 (0.52) HRH4HRH3CDK9CCNT1KDM4E
SCHEMBL605251 0.82 HRH3 (0.53) HRH4HRH3
SCHEMBL605252 0.82 HRH3 (0.53) HRH4HRH3
SCHEMBL603461 0.80 HRH3 (0.93) HRH4HRH3CDK9CCNT1
SCHEMBL3815951 0.80 HRH3 (0.93) HRH4HRH3CDK9CCNT1
SCHEMBL602624 0.80 HRH4 (1.00) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 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-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 HRH4 1/4885HRH3 3/4885CDK9 996/4885

“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.