SCHEMBL3758830

SCHEMBL3758830

Nc1nc2c(c(N3CCC(NC(=O)O)C3)n1)CCCCC2

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.69
HRH3 Q9Y5N1 4/20 0.50
KDM4E B2RXH2 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
AKT1 P31749 2/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NR4A1 P22736 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACKR3 P25106 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
SCHEMBL3753365 0.96 HRH4 (0.70) HRH4HRH3KDM4EOPRM1OPRK1
SCHEMBL17628082 0.82 HRH4 (0.51) HRH4HRH3OPRM1OPRK1OGFRL1
SCHEMBL602624 0.82 HRH4 (1.00) HRH4HRH3
SCHEMBL602625 0.82 HRH4 (1.00) HRH4HRH3
SCHEMBL3237060 0.81 HRH4 (0.51) HRH4HRH3OPRM1OPRK1OGFRL1
SCHEMBL1616617 0.79 HRH4 (1.00) HRH4HRH3
SCHEMBL17628112 0.79 HRH4 (0.45) HRH4KDM4EOPRM1OPRK1OGFRL1
SCHEMBL3235125 0.79 HRH4 (0.68) HRH4HRH3OPRM1OPRK1OGFRL1
SCHEMBL3237073 0.79 HRH4 (0.60) HRH4HRH3OPRM1OPRK1OGFRL1
SCHEMBL3236710 0.79 HRH4 (0.48) HRH4HRH3OPRM1OPRK1OGFRL1

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-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US claimed
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 3/4885KDM4E 2023/4885

“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.