SCHEMBL691153

SCHEMBL691153

O=C(O)Nc1ccc2c(c1)CCCN2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
PLAU P00749 1/20 0.57
PIR O00625 1/20 0.49
GSK3B P49841 1/20 0.49
HSF1 Q00613 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
GAA P10253 3/20 0.46
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.43
NFKB1 P19838 2/20 0.43

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
SCHEMBL11973901 0.88 TRPV1 (0.55) MAPTKDM4EPLAUPIRGSK3B
SCHEMBL30464664 0.86 PLAU (0.56) MAPTKDM4EPLAUPIRGSK3B
SCHEMBL5053574 0.86 PLAU (0.56) MAPTKDM4EPLAUPIRGSK3B
SCHEMBL6984836 0.84 RAB9A (0.66) MAPTKDM4EPLAUPIRGSK3B
SCHEMBL6844828 0.82 PLAU (0.53) MAPTKDM4EPLAUPIRGSK3B
SCHEMBL20291398 0.82 PLAU (0.53) MAPTKDM4EPLAUPIRGSK3B
SCHEMBL6981447 0.81 NPC1 (0.68) MAPTKDM4EPLAUGAANPC1
SCHEMBL17797707 0.81 GSK3B (0.51) GSK3BGAANPC1RAB9AMEN1
SCHEMBL6421787 0.80 RAB9A (0.52) MAPTKDM4EPLAUPIRGSK3B
SCHEMBL3545975 0.79 PLAU (0.50) MAPTKDM4EPLAUPIRGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2020-12-17 US disclosed
EP-3747879-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2020-12-09 EP disclosed
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 US disclosed
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-03-05 US disclosed
US-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2018-02-01 US disclosed
US-9809561-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
WO-2015095795-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE, AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
US-20130005769-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 STORCK PIERRE HENRI (GB) 2013-01-03 US disclosed
US-8288377-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-16 US disclosed
EP-2203447-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2012-02-29 EP disclosed
US-20100216770-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN-CILAG (FR) 2010-08-26 US 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 (8 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-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC MAPT 3622/4885KDM4E 2069/4885PLAU 4296/4885
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC MAPT 3622/4885KDM4E 2069/4885PLAU 4296/4885
US-20100216770-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 MAPT 1584/4885KDM4E 2931/4885PLAU 3960/4885
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF NPR3, SLC10A1, CNR2 MAPT 3679/4885KDM4E 3054/4885PLAU 4356/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC MAPT 3622/4885KDM4E 2069/4885PLAU 4296/4885
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC MAPT 3622/4885KDM4E 2069/4885PLAU 4296/4885
US-20130005769-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 MAPT 1584/4885KDM4E 2931/4885PLAU 3960/4885
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC MAPT 3559/4885KDM4E 2064/4885PLAU 4342/4885

“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.