SCHEMBL89284

SCHEMBL89284

COCCCOc1cc(CBr)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
AHR P35869 1/20 0.38
MAPK1 P28482 3/20 0.37
CALM1 P0DP23 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KCNA3 P22001 1/20 0.35

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
SCHEMBL13490827 0.91 MAPK1 (0.41) ALDH1A1AHRMAPK1CALM1CYP19A1
SCHEMBL5312355 0.85 MAPK1 (0.37) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL13490858 0.85 CALM1 (0.41) ALDH1A1AHRMAPK1CALM1TSHR
SCHEMBL8264810 0.84 MEN1 (0.43) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL88959 0.84 ALDH1A1 (0.44) ALDH1A1AHRMAPK1CALM1CYP1A2
SCHEMBL627823 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1CALM1CYP19A1TSHR
SCHEMBL8237574 0.82 ALDH1A1 (0.39) ALDH1A1AHRMAPK1CALM1CYP1A2
SCHEMBL8264192 0.82 MAOB (0.41) ALDH1A1AHRMAPK1CYP1A2CYP2C19
SCHEMBL90334 0.82 CNR1 (0.40) ALDH1A1AHRMAPK1CYP1A2CYP2C19
SCHEMBL3075017 0.82 ALDH1A1 (0.39) ALDH1A1AHRMAPK1CALM1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (4 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE ALDH1A1 412/4885AHR 1704/4885MAPK1 2507/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885AHR 3178/4885MAPK1 3191/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC ALDH1A1 21/4885AHR 3514/4885MAPK1 2100/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO ALDH1A1 36/4885AHR 3785/4885MAPK1 2246/4885

“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.