SCHEMBL16994486

SCHEMBL16994486

CC1(C)CCC(N/C(=N/C#N)Nc2cccc(F)n2)CC(C)(C)N1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL16994520 0.93 KDM4E (0.37) KDM4EGAAKMT2AGRM5SLC6A2
SCHEMBL9902618 0.89 KDM4E (0.32) KDM4EGAAKMT2ASLC6A2SLC6A4
SCHEMBL9902621 0.89 KDM4E (0.32) KDM4EGAAKMT2ASLC6A2SLC6A4
SCHEMBL16994484 0.83 GRM5 (0.32) GRM5
SCHEMBL16982326 0.83 GRM5 (0.32) GRM5
SCHEMBL9902283 0.82 KDM4E (0.35) KDM4EGAAKMT2AGRM5SLC6A2
SCHEMBL9902941 0.82 P2RX7 (0.41) GAAKMT2A
SCHEMBL16994524 0.82 P2RX7 (0.41) GAAKMT2A
SCHEMBL16994501 0.81 P2RX7 (0.39) KDM4EGAAKMT2A
SCHEMBL16994489 0.81 P2RX7 (0.38) KDM4EGAAKMT2A

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 KDM4E 1061/4885GAA 1833/4885KMT2A 3054/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 KDM4E 1377/4885GAA 1484/4885KMT2A 3506/4885

“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.

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