SCHEMBL9402

SCHEMBL9402

CCC(=O)NCc1cccnn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
NAMPT P43490 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
LMNA P02545 2/20 0.46
VNN1 O95497 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
P2RX7 Q99572 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL14753609 0.87 CYP3A4 (0.51) CYP2C9NAMPTCTDSP1VNN1CYP1A2
SCHEMBL8230937 0.83 NPSR1 (0.62) CYP2C9NAMPTCTDSP1VNN1CYP1A2
SCHEMBL19116753 0.83 HPGD (0.48) CYP2C9NAMPTCTDSP1LMNAVNN1
SCHEMBL4073039 0.81 CYP2C9 (0.55) CYP2C9NAMPTCTDSP1VNN1KDM4E
SCHEMBL21132517 0.79 RECQL (0.51) CYP2C9NAMPTCTDSP1VNN1RAB9A
SCHEMBL31036046 0.79 MEN1 (0.47) CTDSP1MEN1KMT2AHPGD
SCHEMBL24898110 0.79 CYP2C9 (0.47) CYP2C9NAMPTCTDSP1VNN1CYP1A2
SCHEMBL25587555 0.79 VNN1 (0.48) CYP2C9NAMPTCTDSP1LMNAVNN1
SCHEMBL9773 0.78 SMN1; SMN2 (0.69) LMNARAB9AMEN1KMT2APOLB
SCHEMBL20139662 0.76 CYP2C9 (0.43) CYP2C9NAMPTCTDSP1VNN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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 (1 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP CYP2C9 1584/4885NAMPT 2990/4885CTDSP1 2590/4885

“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.