SCHEMBL353640

SCHEMBL353640

NC(=O)C1(N)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
NSD2 O96028 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
SCHEMBL14813765 1.00 TSHR (0.40) TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4600581 0.97 TSHR (0.39) TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL1911324 0.97
Hydrochloric Acid SCHEMBL1920271 0.94 TSHR (0.35) TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL3714826 0.91
Hydrochloric Acid SCHEMBL14955726 0.88
SCHEMBL413223 0.84
Hydrochloric Acid SCHEMBL4765076 0.81
Trifluoroacetic Acid SCHEMBL5526441 0.81 CPB2 (0.35)
SCHEMBL28099479 0.79 TSHR (0.42) TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854087-B Indole carboxamide derivatives as P2X receptor antagonists 埃科特莱茵药品有限公司 2017-03-22 CN claimed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US claimed
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP claimed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP claimed
US-9403808-B2 Pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US claimed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US claimed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP claimed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO claimed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
CN-1278166-A Mixtures of enanthiomers of aminocyclohexylamides to produce simultaneous analgesia with local anaesthesia or antiarrhythmia NORTRAN PHARMACEUTICALS INC (CA) 2000-12-27 CN claimed
WO-1999016431-A1 MIXTURES OF ENANTIOMERS OF AMINOCYCLOHEXYLAMIDES TO PRODUCE SIMULTANEOUS ANALGESIA WITH LOCAL ANAESTHESIA OR ANTIARRHYTHMIA NORTRAN PHARMACEUTICALS INC. (CA) 1999-04-08 WO claimed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
US-4016257-A Amide derivatives of acids, an antibiotic produced by Polyangium cellulosum var. fulvum WARNER-LAMBERT COMPANY (US) 1977-04-05 US claimed
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed
US-4017510-A ENANTIOMORPHS AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed
US-4016257-A Amide derivatives of acids, an antibiotic produced by Polyangium cellulosum var. fulvum WARNER-LAMBERT COMPANY (US) 1977-04-05 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 TSHR 2910/4885CYP2C19 3832/4885ALDH1A1 662/4885
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 TSHR 327/4885CYP2C19 562/4885ALDH1A1 2019/4885
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES CNR2, CNR1, GPR174 TSHR 422/4885CYP2C19 544/4885ALDH1A1 2419/4885

“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.