SCHEMBL89664

SCHEMBL89664

COCCCOc1cc(N)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
GAA P10253 4/20 0.42
MAPT P10636 4/20 0.42
CASP1 P29466 3/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 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
SCHEMBL5172812 0.91 ALDH1A1 (0.43) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL11687770 0.84 KDM4E (0.51) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL13376322 0.82 TSHR (0.46) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL8250672 0.82 MAPT (0.54) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL89387 0.81 TSHR (0.62) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL11685315 0.81 TSHR (0.54) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL22589647 0.81 SLC6A4 (0.42) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL21331696 0.81 SYK (0.48) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL11686319 0.81 TSHR (0.54) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL16942933 0.80 TSHR (0.44) TSHRALDH1A1KDM4EGAAMAPT

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 20 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-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
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 TSHR 2291/4885ALDH1A1 13/4885KDM4E 1853/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885ALDH1A1 38/4885KDM4E 1650/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC TSHR 2757/4885ALDH1A1 21/4885KDM4E 1140/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TSHR 3249/4885ALDH1A1 36/4885KDM4E 2265/4885

“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.