SCHEMBL16577145

SCHEMBL16577145

CCOC(=O)c1ccc(NC2CCN(CC)CC2)c(N)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.75
▸ PTGER4 P35408 3/20 0.60
▸ PRMT1 Q99873 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ HTR4 Q13639 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL19239517 0.90 ALOX15 (0.77) ALOX15PTGER4PRMT1GAALMNA
SCHEMBL15319752 0.89 ALOX15 (0.88) ALOX15PTGER4PRMT1GAALMNA
SCHEMBL15320501 0.89 ALOX15 (0.75) ALOX15PTGER4LMNAKDM4E
SCHEMBL15320854 0.87 ALOX15 (0.93) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL15320802 0.87 ALOX15 (0.97) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL15321351 0.86 ALOX15 (1.00) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL2032512 0.86 ALOX15 (1.00) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL15319744 0.86 ALOX15 (1.00) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL15320214 0.86 ALOX15 (1.00) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL31385531 0.86 ALOX15 (1.00) ALOX15PTGER4GAALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-17 — — US disclosed
US-9580398-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-02-28 — — US disclosed
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 — — 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-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders AIFM2, GPX1, GPX4 ALOX15 86/4885PTGER4 1096/4885PRMT1 1659/4885
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 93/4885PTGER4 1323/4885PRMT1 1678/4885

“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.

Send feedback