SCHEMBL377007

SCHEMBL377007

[C-]#[N+]c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
PNMT P11086 2/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2A6 P11509 2/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
IDO1 P14902 2/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL29957142 1.00 TSHR (0.42) TSHRPNMTCYP1A2CYP2A6LMNA
Hydrochloric Acid SCHEMBL3291195 0.98 TSHR (0.41) TSHRPNMTCYP1A2CYP2A6LMNA
SCHEMBL5588312 0.83 CYP3A4 (0.41) TSHRLMNACYP3A4TDP1
SCHEMBL5587839 0.83 TSHR (0.32) TSHRCYP1A2CYP2A6LMNA
SCHEMBL5587462 0.83 PNMT (0.33) TSHRPNMTCYP1A2LMNAMEN1
SCHEMBL5590657 0.83 CYP3A4 (0.41) TSHRLMNACYP3A4TDP1
SCHEMBL29953266 0.79
SCHEMBL653876 0.79
SCHEMBL8436824 0.77 CYP3A4 (0.40) CYP2A6CYP3A4TDP1
Hydrochloric Acid SCHEMBL8436823 0.77 TSHR (0.45) TSHRPNMTCYP1A2CYP2A6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2408802-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME The Governing Council of the University of Toronto (CA) 2012-01-25 EP claimed
WO-2010105363-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME YUDIN ANDREI (CA) 2010-09-23 WO claimed
EP-0039905-B1 PROCESS FOR THE PREPARATION OF 2-CHLORO-BENZOTHIAZOLE CASSELLA Aktiengesellschaft (DE) 1983-11-02 EP claimed
EP-0039905-A1 Process for the preparation of 2-chloro-benzothiazole CASSELLA Aktiengesellschaft (DE) 1981-11-18 EP claimed
JP-4210952-A None JP disclosed
US-10385099-B2 Cyclic amino acid molecules and methods of preparing the same THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-08-20 US disclosed
US-20170320908-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES ENCYCLE THERAPEUTICS INC. (CA) 2017-11-09 US disclosed
EP-3221335-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES Encycle Therapeutics (CA) 2017-09-27 EP disclosed
EP-2408802-B1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME GOVERNING COUNCIL UNIV TORONTO (CA) 2017-05-03 EP disclosed
US-4088629-A ADDING A PIPERIDINYL-GUANIDINE BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4082761-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1978-04-04 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-4025532-A CHEMOSTERILANTS AMERICAN CYANAMID COMPANY (US) 1977-05-24 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 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-20120065366-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME DNPEP, ANPEP, BCAT1 TSHR 2991/4885PNMT 1311/4885CYP1A2 4217/4885
US-10385099-B2 Cyclic amino acid molecules and methods of preparing the same DNPEP, ANPEP, BCAT1 TSHR 2991/4885PNMT 1311/4885CYP1A2 4217/4885
US-20170320908-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES MAX, BCAT1, ASNS TSHR 1768/4885PNMT 1612/4885CYP1A2 4439/4885

“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.