SCHEMBL377591

SCHEMBL377591

[C-]#[N+]C(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
KDM4E B2RXH2 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39
MIF P14174 2/20 0.38

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
SCHEMBL450918 1.00 TAAR1 (0.42) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL2406731 1.00 TAAR1 (0.42) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL16202960 0.76 TAAR1 (0.41) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL16202956 0.76 TAAR1 (0.41) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL11859945 0.76 TAAR1 (0.41) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL12053468 0.74 MEN1 (0.40) KDM4EHIF1AALDH1A1
SCHEMBL2561541 0.74 CYP3A4 (0.44) CYP2D6LMNAALDH1A1TSHR
SCHEMBL2560254 0.74 IDO1 (0.39) LMNAALDH1A1
SCHEMBL2554184 0.74 CYP2A6 (0.40) ALDH1A1
SCHEMBL3901288 0.74 ADRB2 (0.52) LMNAHIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461735-B Ionic chiral mononuclear metal platinum complex, and preparation method and application thereof 中国科学院化学研究所 2022-07-12 CN claimed
EP-3269724-B1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-22 EP claimed
EP-3118205-B1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-22 EP claimed
US-9884316-B2 Mononuclear ruthenium complex and organic synthesis reaction using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-02-06 US claimed
US-20170320908-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES ENCYCLE THERAPEUTICS INC. (CA) 2017-11-09 US claimed
EP-3221335-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES Encycle Therapeutics (CA) 2017-09-27 EP claimed
WO-2016079682-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES ENCYCLE THERAPEUTICS (CA) 2016-05-26 WO claimed
US-9260479-B2 Cyclic amino acid molecules and methods of preparing the same THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-02-16 US claimed
WO-2012109735-A1 METHODS OF PREPARING CYCLIC AMINO ACID MOLECULES USING ARYLBORONIC OR ARYLBORINIC ACID CATALYSTS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-08-23 WO claimed
US-20120065366-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-15 US claimed
US-5525688-A ALLYLNICKEL COUNTERION COMPLEX REACTED WITH HALOGENATED KETONE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-06-11 US claimed
US-12296325-B2 Catalyst for hydrosilylation reaction, hydrogenation reaction, and hydrosilane reduction reaction KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2025-05-13 US disclosed
EP-3184172-B1 HYDROSILYLATION IRON CATALYST UNIV KYUSHU NAT UNIV CORP (JP) 2024-09-04 EP disclosed
EP-3195932-B1 HYDROSILYLATION REACTION CATALYST UNIV KYUSHU NAT UNIV CORP (JP) 2024-08-21 EP disclosed
EP-3323505-B1 HYDROSILYLATION REACTION CATALYST UNIV KYUSHU NAT UNIV CORP (JP) 2024-07-17 EP disclosed
US-4434317-A Separation and recovery of unsaturated hydrocarbons by copper (I) complexes EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-02-28 US disclosed
US-4425281-A Copper or silver complexes with fluorinated diketones and unsaturated ligands EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-10 US disclosed
US-4385005-A Process for separating unsaturated hydrocarbons using copper or silver complexes with fluorinated diketonates EXXON RESEARCH AND ENGINEERING CO. (US) 1983-05-24 US disclosed
EP-0070638-A1 Copper or silver complexes with fluorinated diketonates and unsaturated hydrocarbons EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-01-26 EP disclosed
US-4018757-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-04-19 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-12296325-B2 Catalyst for hydrosilylation reaction, hydrogenation reaction, and hydrosilane reduction reaction H1-0, HVCN1, H1-2 TAAR1 933/4885KDM4E 3974/4885ADRA2A 2963/4885
US-20120065366-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME DNPEP, ANPEP, BCAT1 TAAR1 2557/4885KDM4E 4419/4885ADRA2A 4494/4885
US-20170320908-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES MAX, BCAT1, ASNS TAAR1 3562/4885KDM4E 3926/4885ADRA2A 4694/4885

“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.