SCHEMBL18502887

SCHEMBL18502887

CN1CCC(OCC(=O)N(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4007114 0.83 MAPT (0.40) MAPT
SCHEMBL12774199 0.82 CHRM1 (0.36) CHRM3CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL14759114 0.81 EPHX1 (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8336494 0.79 ALDH1A1 (0.45) CHRM3CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL14759093 0.79 EPHX1 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL22954499 0.79 ALDH1A1 (0.42) CHRM3CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL3040925 0.78 SMYD3 (0.33) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3040923 0.78 SMYD3 (0.33) ALDH1A1MAPTSMN1; SMN2
SCHEMBL12049806 0.78 ALDH1A1 (0.41) CHRM3CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL8912151 0.77 ITGB3 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2SCN1A

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-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
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

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 CHRM3 3958/4885CHRM4 4560/4885CHRM5 2913/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CHRM3 3762/4885CHRM4 4367/4885CHRM5 2732/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CHRM3 3958/4885CHRM4 4560/4885CHRM5 2913/4885

“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.