SCHEMBL88899

SCHEMBL88899

S=C1Cc2ccccc2CN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
HK1 P19367 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
GALK1 P51570 1/20 0.50
BLM P54132 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.39
PNMT P11086 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
SCHEMBL8558277 0.77 ALOX15 (0.50) ALOX15HSD17B10KMT2AKDM4EMEN1
SCHEMBL5740686 0.73 ALOX15 (0.57) ALOX15HSD17B10KMT2AKDM4EMEN1
SCHEMBL89023 0.71 ALOX15 (0.56) ALOX15HSD17B10NPC1CA12CA9
SCHEMBL31546300 0.71 ALOX15 (1.00) ALOX15HSD17B10KMT2AKDM4EMEN1
SCHEMBL20932667 0.71 ALOX15 (0.56) ALOX15HSD17B10CA12CA9CYP1A2
SCHEMBL8931374 0.71 ALOX15 (0.56) ALOX15HSD17B10CA12CA9CYP1A2
SCHEMBL2087881 0.71 ALOX15 (1.00) ALOX15HSD17B10KMT2AKDM4EMEN1
SCHEMBL19939638 0.69 ALOX15 (0.58) ALOX15HSD17B10CYP1A2PNMTCD44
SCHEMBL8530034 0.69 ALDH1A1 (0.52) ALOX15HSD17B10KMT2AKDM4EMEN1
SCHEMBL12052555 0.68 CYP1A2 (0.50) ALOX15HSD17B10KMT2AKDM4EMEN1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 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-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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 (11 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 ALOX15 2573/4885HSD17B10 1242/4885KMT2A 3027/4885
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ALOX15 1126/4885HSD17B10 1985/4885KMT2A 3192/4885
US-20080242662-A1 Organic Compounds REN, ACE, ECE1 ALOX15 466/4885HSD17B10 1486/4885KMT2A 3596/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALOX15 973/4885HSD17B10 2045/4885KMT2A 3129/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 ALOX15 2503/4885HSD17B10 1433/4885KMT2A 118/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC ALOX15 787/4885HSD17B10 1644/4885KMT2A 3912/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 ALOX15 2198/4885HSD17B10 3638/4885KMT2A 3179/4885
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B ALOX15 1576/4885HSD17B10 340/4885KMT2A 296/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO ALOX15 956/4885HSD17B10 1910/4885KMT2A 3979/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 ALOX15 2475/4885HSD17B10 2865/4885KMT2A 2465/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO ALOX15 1795/4885HSD17B10 2469/4885KMT2A 2912/4885

“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.