SCHEMBL3656009

SCHEMBL3656009

C1=Cc2cnccc2CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL19605733 0.88 SIGMAR1 (0.50) SIGMAR1CHRNB2CHRNA4CYP19A1CYP11B1
SCHEMBL1950016 0.83 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4
SCHEMBL30027858 0.80 SIGMAR1 (0.41) SIGMAR1CHRNB2CHRNA4CYP19A1CYP11B1
SCHEMBL16031737 0.78
SCHEMBL4624522 0.78
SCHEMBL24592357 0.73 CYP11B2 (0.49) SIGMAR1CHRNB2CHRNA4CYP19A1CYP11B1
SCHEMBL11977450 0.71
SCHEMBL9537234 0.71 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4CYP19A1CYP11B1
SCHEMBL11977448 0.71 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4CHRNA7
SCHEMBL7486260 0.69 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109674792-A The purposes of substituted 5,6- dihydro-isoquinoline simultaneously [3,2- α] isoquinolin -7- derivative 四川大学 2019-04-26 CN claimed
WO-2026099533-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME (ARDS) WITH GPBP1 INHIBITORS UNIVERSITAT DE VALÈNCIA (ES) 2026-05-15 WO disclosed
WO-2023154758-A1 A1H-BENZO[C][1,2]THIADIAZINE-2,2-DIOXIDES BEARING HETEROCYCLIC LINKERS AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS GEORGETOWN UNIVERSITY (US) 2023-08-17 WO disclosed
US-20230145442-A1 CONDENSATION PRODUCT FOR USE IN A METHOD FOR THE TREATMENT OF COVID-19 IFOM FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2023-05-11 US disclosed
CN-113980017-B Synthesis method of C-13 methyl substituted tetrahydrochysene 13 methyl berberine derivative 四川大学 2023-05-05 CN disclosed
EP-4125832-A1 CONDENSATION PRODUCT FOR USE IN A METHOD FOR THE TREATMENT OF COVID-19 BASF SE (DE) 2023-02-08 EP disclosed
CN-115551492-A Condensation products for use in methods of treating COVID-19 巴斯夫欧洲公司 2022-12-30 CN disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed
CN-110049985-B Heterocyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2022-05-31 CN disclosed
WO-2021198332-A1 CONDENSATION PRODUCT FOR USE IN A METHOD FOR THE TREATMENT OF COVID-19 BASF SE (DE) 2021-10-07 WO disclosed
US-20020016339-A1 Piperididinyl and N-amidinopiperidinyl derivatives KLEIN SCOTT I (US) 2002-02-07 US disclosed
EP-0327239-B1 1-carbacephalosporin antibiotics LILLY CO ELI (US) 1994-06-22 EP disclosed
US-5019571-A 1-carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1991-05-28 US disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
EP-0327239-A1 1-carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1989-08-09 EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
CN-86103619-A The preparation method of the bicyclic pyrazolidinones that 7-replaces 1986-10-29 CN 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 (2 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-20020016339-A1 Piperididinyl and N-amidinopiperidinyl derivatives F11, F5, TFPI SIGMAR1 2061/4885CHRNB2 993/4885CHRNA4 396/4885
US-20230145442-A1 CONDENSATION PRODUCT FOR USE IN A METHOD FOR THE TREATMENT OF COVID-19 ACE2, SARS1, UBE2M SIGMAR1 2738/4885CHRNB2 4760/4885CHRNA4 4667/4885

“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.