SCHEMBL12155643

SCHEMBL12155643

CC(=O)N1CCCC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CNR2 P34972 2/20 0.34

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
SCHEMBL18711702 0.93 TSHR (0.35) TSHRNFKB1CYP2C19CYP3A4KDM5A
SCHEMBL20707613 0.91 ALDH1A1 (0.34) TSHRNFKB1CYP2C19CYP3A4
SCHEMBL14970431 0.85
SCHEMBL1355575 0.81 TSHR (0.41) TSHRNFKB1CYP2C19KDM5AKDM4C
SCHEMBL3469463 0.79 TSHR (0.35) TSHRNFKB1CYP2C19KDM5AKDM4C
Hydrochloric Acid SCHEMBL29089994 0.77 TSHR (0.34) TSHRNFKB1CYP2C19KDM5AKDM4C
SCHEMBL1159175 0.77 TSHR (0.38) TSHRNFKB1CYP2C19KDM5AKDM4C
SCHEMBL4020424 0.76 ALDH1A1 (0.37) TSHRNFKB1CYP2C19KDM5AKDM4C
SCHEMBL2682939 0.76 CYP3A4 (0.40) CYP3A4
SCHEMBL13713515 0.76 ALDH1A1 (0.39) TSHRNFKB1CYP2C19KDM5AKDM4C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
WO-2020063854-A1 QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS 南京明德新药研发有限公司 2020-04-02 WO disclosed
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP disclosed
US-9914721-B2 Use of benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-13 US disclosed
US-20170001985-A1 USE OF BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-01-05 US disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
WO-2013067267-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL] PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE THERAVANCE, INC. (US) 2013-05-10 WO disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP 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-20170001985-A1 USE OF BENZIMIDAZOLE-PROLINE DERIVATIVES TPP1, TPP2, IL4I1 TSHR 4737/4885NFKB1 4262/4885CYP2C19 1668/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 TSHR 2238/4885NFKB1 52/4885CYP2C19 4619/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR TSHR 181/4885NFKB1 3885/4885CYP2C19 173/4885

“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.