SCHEMBL17554285

SCHEMBL17554285

Nc1ccn(CCc2ccccc2)c(=O)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
BACE1 P56817 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MGLL Q99685 1/20 0.42
ADORA2A P29274 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
P2RX7 Q99572 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
DAO P14920 1/20 0.40
MCHR1 Q99705 1/20 0.40
HSP90AB1 P08238 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL248682 0.83 EP300 (0.49) EP300KMT2AMEN1ADORA2AHTT
SCHEMBL19746414 0.81 P2RX7 (0.46) KMT2AMEN1GSK3AGSK3BMGLL
SCHEMBL22078831 0.80 FGFR1 (0.43) EP300
SCHEMBL23343373 0.79 FGFR1 (0.44) EP300
SCHEMBL6379845 0.78 FGFR1 (0.43) EP300
SCHEMBL19746431 0.77 GRM2 (0.41) KMT2AMEN1GSK3AGSK3BMGLL
SCHEMBL3680116 0.76 FGFR1 (0.52) EP300
SCHEMBL2967556 0.76 FGFR1 (0.43) EP300
SCHEMBL19746867 0.76 NOS1 (0.39) NOS1KMT2AMEN1GSK3AGSK3B
SCHEMBL19746868 0.76 NOS1 (0.39) NOS1KMT2AMEN1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2992883-B1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS SHANGHAI INST MATERIA MEDICA CAS (CN) 2024-04-24 EP disclosed
US-9737517-B2 Pharmaceutical use of hexahydro-dibenzo[a,g]quinolizine compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-22 US disclosed
US-20160193195-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-07 US disclosed
EP-2992883-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2016-03-09 EP 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-20160193195-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS BPHL, QDPR, NQO2 EP300 3709/4885NOS3 3794/4885NOS1 3292/4885

“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.