SCHEMBL89928

SCHEMBL89928

COCCNC(=O)c1cc(NC2CC2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
P2RX7 Q99572 2/20 0.52
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA3 P07451 4/20 0.51
CA6 P23280 4/20 0.51
CA5A P35218 4/20 0.51
CA7 P43166 4/20 0.51
CA13 Q8N1Q1 4/20 0.51
CA14 Q9ULX7 4/20 0.51
CA5B Q9Y2D0 4/20 0.51
CA4 P22748 3/20 0.48
CA9 Q16790 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
PYGL P06737 1/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL89901 0.80 MEN1 (0.56) HPGDALDH1A1KDM4EMAPTP2RX7
SCHEMBL89147 0.75 POLB (0.60) ALDH1A1KDM4EMAPTP2RX7SMN1; SMN2
SCHEMBL13618139 0.74 P2RX7 (0.46) HPGDALDH1A1KDM4EMAPTP2RX7
SCHEMBL8288031 0.72 NPC1 (0.70) HPGDALDH1A1SMN1; SMN2PTGS2
SCHEMBL8265618 0.72 L3MBTL1 (0.42) HPGDALDH1A1KDM4EMAPTBTK
SCHEMBL13538061 0.72 HPGD (0.51) HPGDP2RX7SMN1; SMN2
SCHEMBL89853 0.71 CYP2C9 (0.39) HPGDALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL18150374 0.71 HPGD (0.49) HPGDALDH1A1KDM4EMAPTCA12
SCHEMBL31557909 0.71 CA12 (0.43) HPGDMAPTCA12CA1CA2
SCHEMBL31557889 0.71 CA12 (0.43) HPGDMAPTCA12CA1CA2

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 16 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
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-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (3 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 HPGD 723/4885ALDH1A1 38/4885KDM4E 1650/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC HPGD 343/4885ALDH1A1 21/4885KDM4E 1140/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO HPGD 225/4885ALDH1A1 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.