SCHEMBL18249550

SCHEMBL18249550

CC(C)(C)OC(=O)N1CCC(CCOc2cc(N)c3ncccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.50
▸ GPR119 Q8TDV5 12/20 0.48
▸ FAAH O00519 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ SGMS1 Q86VZ5 1/20 0.42
▸ SGMS2 Q8NHU3 1/20 0.42
▸ POLB P06746 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
SCHEMBL18257247 0.85 GPR119 (0.48) CHEK2GPR119FAAHSCN9ACSF1R
SCHEMBL18257194 0.84 ALDH1A1 (0.47) CHEK2GPR119SCN9AKDM4EPKM
SCHEMBL14334216 0.81 GPR119 (0.51) CHEK2GPR119FAAHSCN9AKDM4E
SCHEMBL1646632 0.81 GPR119 (0.59) CHEK2GPR119SCN9AKDM4EPKM
SCHEMBL18257200 0.80 HTT (0.49) CHEK2GPR119SCN9A
SCHEMBL18249534 0.80 SCN9A (0.42) CHEK2GPR119SCN9AKDM4EPKM
SCHEMBL2158159 0.77 GPR119 (0.65) CHEK2GPR119KDM4EPKMCSF1R
SCHEMBL18249536 0.76 SLC6A2 (0.43) CHEK2
SCHEMBL25396199 0.76 GPR119 (0.58) CHEK2GPR119
SCHEMBL18280179 0.76 GPR119 (0.47) GPR119FAAHKDM4EPKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 — — US disclosed
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 — — US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 — — US disclosed
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 — — WO disclosed
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 — — 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 (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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT CHEK2 799/4885GPR119 1003/4885FAAH 3295/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 CHEK2 1544/4885GPR119 647/4885FAAH 782/4885

“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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