SCHEMBL17554284

SCHEMBL17554284

O=c1nc(NCCc2ccccc2)cc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
APP P05067 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TAAR1 Q96RJ0 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
PIM1 P11309 1/20 0.44
PKM P14618 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL248683 0.85 ELANE (0.50) ELANEAPPMEN1KMT2AKDM4E
SCHEMBL3219798 0.76 ALDH1A1 (0.35)
SCHEMBL4113139 0.76 ELANE (0.43) ELANEKDM4ESMN1; SMN2L3MBTL1PIM1
SCHEMBL3680113 0.76 POLB (0.41) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6379848 0.76 ZAP70 (0.39) KDM4ESMN1; SMN2PIM1
SCHEMBL3798154 0.76 ALDH1A1 (0.32)
SCHEMBL1004805 0.75 KCNH2 (0.55) ELANEAPPTAAR1SMN1; SMN2
SCHEMBL10899344 0.75 ALDH1A1 (0.31) APPACHE
SCHEMBL3407144 0.73 HRH3 (0.50) MEN1KMT2APIM1
SCHEMBL29509040 0.73 TLR8 (0.49) ELANESMN1; SMN2

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 ELANE 2077/4885APP 2761/4885MEN1 394/4885

“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.