SCHEMBL17207682

SCHEMBL17207682

CC(C)NC(=O)N(C)C1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ CCR5 P51681 2/20 0.40
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HTR2A P28223 1/20 0.36

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
SCHEMBL23136072 0.85 TSHR (0.49) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL23135917 0.85 TSHR (0.49) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL25568020 0.82 CCR5 (0.51) TSHRCCR5HTR2A
SCHEMBL12038661 0.80 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMAPTHTT
SCHEMBL800697 0.77 HTT (0.45) ALDH1A1LMNAKMT2AHTTCCR5
SCHEMBL12075520 0.76 CCR5 (0.43) LMNAMAPTHTTCCR5WNT1
SCHEMBL12005166 0.76 GAA (0.50) KMT2ASMN1; SMN2MEN1HTTCCR5
SCHEMBL12004803 0.76 NPY5R (0.47) MAPTHTTCCR5GSK3BDYRK1A
SCHEMBL12004560 0.75 GHSR (0.51) MAPTHTTCCR5KDM4EHTR2A
SCHEMBL12004926 0.75 GHSR (0.61) HTTCCR5HTR2A

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
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
EP-3135668-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 — — EP disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
WO-2015163427-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND 田辺三菱製薬株式会社 2015-10-29 — — 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 (3 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 TSHR 759/4885ALDH1A1 68/4885LMNA 2988/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 TSHR 782/4885ALDH1A1 80/4885LMNA 3233/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 TSHR 759/4885ALDH1A1 68/4885LMNA 2988/4885

“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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