SCHEMBL2087751

SCHEMBL2087751

c1ccc(C(CNC2CC2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL29587130 0.85 KDM4E (0.48) SOS1KDM4EMEN1KMT2AGRIN1
SCHEMBL27717372 0.82 SOS1 (0.47) SOS1KDM4EGRIN1GRIN2A
Hydrochloric Acid SCHEMBL14126826 0.80 KDM4E (0.71) KDM4EL3MBTL1
SCHEMBL3643057 0.79 SOS1 (0.77) SOS1KDM4EMEN1KMT2AHRH1
SCHEMBL1807864 0.79 DRD2 (0.53) KDM4EMEN1KMT2ARAB9A
SCHEMBL31270102 0.76 KDM4E (0.66) KDM4EL3MBTL1
SCHEMBL468954 0.76 KDM4E (0.43) SOS1KDM4EMEN1KMT2AGAA
SCHEMBL9594773 0.76 ROCK1 (0.41)
Trifluoroacetic Acid SCHEMBL5034045 0.75 SOS1 (0.56) SOS1KDM4EGRIN2BHRH4LMNA
SCHEMBL13559371 0.75 KDM4E (0.42) SOS1KDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104086633-B Short fatty acid tail polymyxin derivatives and application thereof 北方抗生素有限公司 2018-02-09 CN disclosed
EP-3078672-A1 POLYMYXIN DERIVATIVES AND USES THEREOF Northern Antibiotics Oy (FI) 2016-10-12 EP disclosed
EP-2057185-B1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS OY (FI) 2016-05-11 EP disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
CN-101970461-A Short-chain fatty acid tail polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS OY 2011-02-09 CN disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
CN-101501063-A Polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS OY (FI) 2009-08-05 CN disclosed
CN-101223140-A Piperidine derivatives useful in the diagnostic and therapeutic treatment of diseases depending on renin activity NOVARTIS AG (CH) 2008-07-16 CN disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 SOS1 4669/4885KDM4E 1597/4885MEN1 2386/4885

“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.