SCHEMBL5129484

SCHEMBL5129484

O=C1Nc2cc(Br)ccc2N2CCN(C(=O)OCc3ccccc3)CC12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTR2C P28335 1/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KRAS P01116 2/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
MMP9 P14780 3/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP30 Q70CQ3 1/20 0.38
MMP7 P09237 1/20 0.38

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
SCHEMBL11445440 0.89 GRM5 (0.44) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL11453696 0.89 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL11445583 0.89 HSD17B10 (0.42) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL11445289 0.89 PTGDR2 (0.45) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL5872544 0.88 HTR2C (0.47) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL5131797 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL11445480 0.86 KMT2A (0.52) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL6740752 0.85 HTR2C (0.46) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL25405608 0.85 TDP1 (0.42) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL30816005 0.84 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114096533-B Tri-ring compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-03-08 CN disclosed
WO-2021047406-A1 TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-03-18 WO disclosed
WO-2021047406-A1 TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-03-18 WO disclosed
US-20080188460-A1 Tricyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2008-08-07 US disclosed
US-6638934-B2 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoxaline derivatives; treating depression, schizophrenia; (5-hydroxytryptamine=5HT) 5HT2a antagonist or a 5HT2c agonist BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-28 US disclosed
EP-1345942-A2 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2003-09-24 EP disclosed
WO-2002059127-A2 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 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-20080188460-A1 Tricyclic compounds, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CASP3 SMN1; SMN2 834/4885NPC1 218/4885RAB9A 2019/4885

“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.