SCHEMBL864676

SCHEMBL864676

CCCCNCCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH7 P40394 2/20 0.39
CYP1A2 P05177 1/20 0.38
S1PR2 O95136 5/20 0.34
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR5 Q9H228 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
Hydrochloric Acid SCHEMBL4308486 0.97 TSHR (0.50) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL13912963 0.92 TSHR (0.65) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL19749942 0.90 TSHR (0.52) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL17831473 0.87 TSHR (0.50) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL21088215 0.86 TSHR (0.45) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL10045123 0.86 CYP2C19 (0.45) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL13078633 0.84 TSHR (0.38) TSHRALDH1A1PAOX
SCHEMBL13078638 0.84 TSHR (0.38) TSHRALDH1A1
SCHEMBL4305760 0.83 TSHR (0.36) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL14262135 0.83 TSHR (0.43) TSHRALDH1A1CYP2C19MEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3125949-B1 DENDRONIZED METALLIC OXIDE NANOPARTICLES, A PROCESS FOR PREPARING THE SAME AND THEIR USES CENTRE NAT RECH SCIENT (FR) 2023-11-08 EP disclosed
US-11131431-B2 LED tube lamp JIAXING SUPER LIGHTING ELECTRIC APPLIANCE CO., LTD (CN) 2021-09-28 US disclosed
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 US disclosed
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-29 US disclosed
US-10000480-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 US disclosed
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 US disclosed
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US disclosed
EP-1599167-B1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES HAVING AFFINITY FOR THE MELANOCORTIN RECEPTORS AND USE THEREOF AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2007-10-03 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 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 (8 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-10000480-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 TSHR 749/4885ALDH1A1 4349/4885CYP2C19 1459/4885
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 TSHR 749/4885ALDH1A1 4349/4885CYP2C19 1459/4885
US-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 TSHR 3681/4885ALDH1A1 343/4885CYP2C19 3178/4885
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 TSHR 749/4885ALDH1A1 4349/4885CYP2C19 1459/4885
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 TSHR 259/4885ALDH1A1 2488/4885CYP2C19 877/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R TSHR 64/4885ALDH1A1 2294/4885CYP2C19 231/4885
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 TSHR 3563/4885ALDH1A1 1707/4885CYP2C19 4252/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 TSHR 749/4885ALDH1A1 4349/4885CYP2C19 1459/4885

“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.