SCHEMBL18502845

SCHEMBL18502845

CC[C@H](CCCNC)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KISS1R Q969F8 1/20 0.33
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33

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
SCHEMBL21283080 1.00 EPHX1 (0.37) EPHX1HTR2AHRH1KISS1RPRMT3
SCHEMBL14958730 1.00 EPHX1 (0.37) EPHX1HTR2AHRH1KISS1RPRMT3
SCHEMBL9541590 0.86 PRMT3 (0.36) HTR2AHRH1PRMT3CARM1PRMT6
SCHEMBL18806384 0.80
SCHEMBL16752057 0.78 KISS1R (0.35) EPHX1HTR2AHRH1KISS1RPRMT3
SCHEMBL16752077 0.78 HTR2A (0.34) EPHX1HTR2AHRH1KISS1RPRMT3
SCHEMBL20107217 0.77
SCHEMBL20368642 0.75 ALDH1A1 (0.39)
SCHEMBL5948812 0.75 ALDH1A1 (0.39)
SCHEMBL5948733 0.73 OPRM1 (0.40)

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 EPHX1 501/4885HTR2A 2600/4885HRH1 1009/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 EPHX1 377/4885HTR2A 2557/4885HRH1 1117/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 EPHX1 501/4885HTR2A 2600/4885HRH1 1009/4885

“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.