SCHEMBL1145796

SCHEMBL1145796

CSCCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
SIGMAR1 Q99720 3/20 0.40
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.33
METAP1 P53582 1/20 0.32
ACHE P22303 1/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
NAAA Q02083 1/20 0.32
HSD11B1 P28845 1/20 0.32
EPHX1 P07099 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
SCHEMBL7733169 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1TSHRHPGDMETAP1
SCHEMBL7739371 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1TSHRHPGDMETAP1
SCHEMBL7738594 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1TSHRHPGDMETAP1
SCHEMBL7739840 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1TSHRHPGDMETAP1
SCHEMBL3051330 0.97
SCHEMBL3050590 0.92
SCHEMBL12460337 0.86
SCHEMBL629801 0.78 SIGMAR1 (0.41) CYP1A2SIGMAR1TSHRHPGDCHRM2
SCHEMBL21175611 0.78 CYP1A2 (0.46) CYP1A2SIGMAR1HPGDMETAP1CHRM5
Hydrochloric Acid SCHEMBL6898804 0.77 SIGMAR1 (0.40) CYP1A2SIGMAR1TSHRHPGDCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
EP-3265083-B1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST JUDE CHILDRENS RES HOSPITAL (US) 2022-07-06 EP disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 WO disclosed
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
US-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 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 (5 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 CYP1A2 1723/4885SIGMAR1 2842/4885TSHR 3788/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 CYP1A2 140/4885SIGMAR1 103/4885TSHR 627/4885
US-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CYP1A2 688/4885SIGMAR1 457/4885TSHR 3942/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 CYP1A2 2250/4885SIGMAR1 4873/4885TSHR 3953/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CYP1A2 688/4885SIGMAR1 457/4885TSHR 3942/4885

“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.