SCHEMBL16994497

SCHEMBL16994497

CC1(C)CCC(N/C(=N/C#N)Nc2ccccc2)CC(C)(C)N1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.35
RECQL P46063 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSC P53634 1/20 0.34
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX15 P16050 1/20 0.32
ABCC9 O60706 1/20 0.32
KCNJ11 Q14654 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9902380 1.00 P2RX7 (0.37) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL9902381 1.00 P2RX7 (0.37) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL9901441 0.92 P2RX7 (0.43) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL16994523 0.92 P2RX7 (0.43) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL17271384 0.89 KDM4E (0.44) P2RX7KMT2AKDM4EGAACYP1A2
SCHEMBL9901606 0.89 FPR2 (0.35) KMT2AKDM4EGAAMEN1EPHX2
SCHEMBL9901873 0.89 USP30 (0.36) KMT2AKDM4EGAAMEN1THRB
SCHEMBL9901609 0.89 FPR2 (0.35) KMT2AKDM4EGAAMEN1EPHX2
SCHEMBL16994489 0.89 P2RX7 (0.38) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL9902157 0.89 KDM4E (0.44) P2RX7KMT2AKDM4EGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2017-04-20 US disclosed
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 US disclosed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 US disclosed
US-9102659-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2015-08-11 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 (2 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-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 P2RX7 348/4885KMT2A 3054/4885KDM4E 1061/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 P2RX7 412/4885KMT2A 3506/4885KDM4E 1377/4885

“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.