SCHEMBL7001657

SCHEMBL7001657

O=C1CCCN1CCOc1ncccc1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
ADRA1B P35368 1/20 0.44
PDK2 Q15119 4/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PTK2 Q05397 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5797630 0.80 LTA4H (0.55) MEN1KMT2APOLBPDK2ALDH1A1
SCHEMBL14334243 0.78 MEN1 (0.44) MEN1KMT2APOLBADRA1BPDK2
SCHEMBL14334375 0.74 LTA4H (0.51) MEN1KMT2APOLBPDK2ALDH1A1
SCHEMBL22434503 0.73 POLB (0.60) MEN1KMT2APOLBPDK2CCNC
SCHEMBL27508476 0.73 CHRM2 (0.52) MEN1KMT2APOLBPDK2ALDH1A1
SCHEMBL23640346 0.73 POLB (0.71) MEN1KMT2APOLBPDK2ALDH1A1
SCHEMBL16429599 0.73 MEN1 (0.44) MEN1KMT2APOLBPDK2ALDH1A1
SCHEMBL16429592 0.73 MEN1 (0.44) MEN1KMT2APOLBPDK2ALDH1A1
SCHEMBL13096997 0.72 POLB (0.73) MEN1KMT2APOLBPDK2NPC1
SCHEMBL29743908 0.71 POLB (0.57) MEN1KMT2APOLBPDK2ALDH1A1

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-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1268486-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074823-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR MEN1 3625/4885KMT2A 3605/4885POLB 4125/4885

“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.