SCHEMBL708399

SCHEMBL708399

CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.36
HTT P42858 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.31
PIN1 Q13526 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
Methylamine SCHEMBL29052258 0.96 SMYD2 (0.35) SMYD2HTTCYP3A4SMN1; SMN2LTA4H
SCHEMBL706843 0.84 SMYD2 (0.40) SMYD2HTTCYP3A4SMN1; SMN2LTA4H
SCHEMBL30563707 0.82 SMYD2 (0.36) SMYD2HTTCYP3A4SMN1; SMN2MAPK1
SCHEMBL8168666 0.82 SMYD2 (0.36) SMYD2HTTCYP3A4SMN1; SMN2MAPK1
SCHEMBL1879760 0.82 SMYD2 (0.36) SMYD2HTTCYP3A4SMN1; SMN2MAPK1
SCHEMBL28387134 0.82 TAAR1 (0.38) SMYD2HTTCYP3A4SMN1; SMN2MAPK1
SCHEMBL7848052 0.82 SMYD2 (0.36) SMYD2HTTCYP3A4SMN1; SMN2MAPK1
SCHEMBL702653 0.81 LTA4H (0.42) SMYD2HTTCYP3A4SMN1; SMN2LTA4H
SCHEMBL14601099 0.81 SMYD2 (0.34) SMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL28549731 0.80 SMYD2 (0.35) SMYD2HTTCYP3A4SMN1; SMN2MAPK1

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 183 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092777-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-(8-SUBSTITUTED)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS OGEDA SA (BE) 2019-03-28 US claimed
US-10030025-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists OGEDA SA (BE) 2018-07-24 US claimed
EP-2948455-B1 N-ACYL-(3-SUBSTITUTED)-(8-SUBSTITUTED)-5,6-DIHYDRO- [1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS OGEDA S A (FR) 2017-09-27 EP claimed
EP-3219715-A1 N-ACYL-(3-SUBSTITUTED)-(8-SUBSTITUTED)-5,6-DIHYDRO- [1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS OGEDA SA (BE) 2017-09-20 EP claimed
US-20170240551-A9 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS OGEDA SA (BE) 2017-08-24 US claimed
US-20160318941-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS EUROSCREEN SA (BE) 2016-11-03 US claimed
WO-2000050478-A1 NOVEL FORMULATIONS OF ALKYLLITHIUMS WITH IMPROVED THERMAL STABILITY, PROCESSES TO PRODUCE THESE FORMULATIONS AND PROCESSES FOR USING THE SAME TO IMPROVE STABILITY OF LIVING POLYMER CHAIN ENDS FMC CORPORATION (US) 2000-08-31 WO claimed
EP-1023333-A1 PROCESSES FOR IMPROVING STABILITY OF LIVING POLYMERIZATION CHAIN ENDS FMC CORPORATION (US) 2000-08-02 EP claimed
WO-1999012979-A1 PROCESSES FOR IMPROVING STABILITY OF LIVING POLYMERIZATION CHAIN ENDS FMC CORPORATION (US) 1999-03-18 WO claimed
US-20260118791-A1 TONER CANON KK (JP) 2026-04-30 US disclosed
EP-4086705-B1 TONER CANON KK (JP) 2026-03-25 EP disclosed
EP-4012501-B1 EXTERNAL ADDITIVE FOR TONER, TONER AND IMAGE FORMING APPARATUS CANON KK (JP) 2026-02-11 EP disclosed
US-12487539-B2 Fine particle, external additive for toners, and toner CANON KABUSHIKI KAISHA (JP) 2025-12-02 US disclosed
US-20250334892-A1 FINE POWDER FOR TONER AND TONER CANON KK (JP) 2025-10-30 US disclosed
EP-0974582-B1 Process for the preparation of 4-substituted azetidinone derivatives TAKASAGO PERFUMERY CO LTD (JP) 2003-02-12 EP disclosed
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US disclosed
WO-2000050478-A1 NOVEL FORMULATIONS OF ALKYLLITHIUMS WITH IMPROVED THERMAL STABILITY, PROCESSES TO PRODUCE THESE FORMULATIONS AND PROCESSES FOR USING THE SAME TO IMPROVE STABILITY OF LIVING POLYMER CHAIN ENDS FMC CORPORATION (US) 2000-08-31 WO disclosed
EP-1023333-A1 PROCESSES FOR IMPROVING STABILITY OF LIVING POLYMERIZATION CHAIN ENDS FMC CORPORATION (US) 2000-08-02 EP disclosed
EP-0974582-A1 Process for the preparation of 4-substituted azetidinone derivatives Takasago International Corporation (JP) 2000-01-26 EP disclosed
WO-1999012979-A1 PROCESSES FOR IMPROVING STABILITY OF LIVING POLYMERIZATION CHAIN ENDS FMC CORPORATION (US) 1999-03-18 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 (5 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-20170240551-A9 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS GPR3, ACKR3, KCNK3 SMYD2 4392/4885HTT 4852/4885CYP3A4 990/4885
US-20160318941-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS GPR3, ACKR3, KCNK3 SMYD2 4392/4885HTT 4852/4885CYP3A4 990/4885
US-10030025-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists GPR3, ACKR3, KCNK3 SMYD2 4392/4885HTT 4852/4885CYP3A4 990/4885
US-20260118791-A1 TONER MSR1, H1-2, TAAR1 SMYD2 3442/4885HTT 1951/4885CYP3A4 1965/4885
US-20190092777-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-(8-SUBSTITUTED)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS PKD1, GPR3, FFAR3 SMYD2 4630/4885HTT 3918/4885CYP3A4 1325/4885

“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.