SCHEMBL3757557

SCHEMBL3757557

C1CNCCNC1.c1ccc2c(c1)CNCN2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PNMT P11086 2/20 0.39
CD44 P16070 1/20 0.39
MAOB P27338 1/20 0.39
HTR2C P28335 1/20 0.39
HTR5A P47898 2/20 0.36
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RYR2 Q92736 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CXCR4 P61073 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HK1 P19367 1/20 0.33

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
SCHEMBL29411963 0.88 ALOX15 (0.50) ALOX15HSD17B10PNMTCD44MAOB
SCHEMBL124019 0.88 ALOX15 (0.50) ALOX15HSD17B10PNMTCD44MAOB
Hydrochloric Acid SCHEMBL4630968 0.86 ALOX15 (0.48) ALOX15HSD17B10PNMTCD44MAOB
Hydrogen Sulfide SCHEMBL27951535 0.86 ALOX15 (0.48) ALOX15HSD17B10PNMTCD44MAOB
SCHEMBL6887634 0.78 CD44 (0.52) ALOX15HSD17B10PNMTCD44MAOB
SCHEMBL379799 0.78 CD44 (0.52) ALOX15HSD17B10PNMTCD44MAOB
Pyridine SCHEMBL19995258 0.78 ALOX15 (0.46) ALOX15HSD17B10PNMTCD44MAOB
SCHEMBL18320611 0.77 PNMT (0.47) ALOX15HSD17B10PNMTCD44MAOB
Hydrochloric Acid SCHEMBL7002945 0.76 CD44 (0.50) ALOX15HSD17B10PNMTCD44MAOB
SCHEMBL31037172 0.73 CXCR4 (0.45) HTR2CGAAMEN1KMT2ACXCR4

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 ALOX15 1788/4885HSD17B10 2983/4885PNMT 521/4885

“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.