SCHEMBL4524341

SCHEMBL4524341

O=c1nc(N2CCNCC2)cc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.49
HTR3B O95264 4/20 0.49
HTR3A P46098 4/20 0.49
HTR3D Q70Z44 4/20 0.49
HTR3C Q8WXA8 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HTR2C P28335 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
SLC6A4 P31645 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR7 P34969 1/20 0.47
HTT P42858 1/20 0.47
HTR6 P50406 1/20 0.47
PMP22 Q01453 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL29355641 0.89 JAK3 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6500066 0.85 JAK3 (0.41) ALDH1A1CYP1A2MAPK1TDP1HRH4
SCHEMBL942469 0.81 PIK3CB (0.51) HTT
SCHEMBL3254758 0.77 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30208796 0.73 JAK3 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6066498 0.72 ROCK2 (0.38) CYP3A4HTTTHPO
SCHEMBL31434932 0.72 JAK3 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18163265 0.70 PARP1 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1559213 0.69 PLD1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30146590 0.69 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281083-A1 Combination Product ASTRAZENECA AB (SE) 2009-11-12 US disclosed
EP-1874774-A1 COMBINATION PRODUCT AstraZeneca AB (SE) 2008-01-09 EP disclosed
WO-2006112772-A1 COMBINATION PRODUCT ASTRAZENECA AB (SE) 2006-10-26 WO 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-20090281083-A1 Combination Product PAH, PTGIS, CYP11B2 HTR3E 1210/4885HTR3B 446/4885HTR3A 1363/4885

“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.