SCHEMBL261822

SCHEMBL261822

CNC1CCC(CO)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.34
ESR2 Q92731 6/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CHRM3 P20309 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP2D6 P10635 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
SCHEMBL261614 1.00 ESR1 (0.34) ESR1ESR2CYP3A4CYP2C9CHRM3
SCHEMBL5042886 0.85
SCHEMBL13355187 0.85
SCHEMBL22418637 0.85
SCHEMBL764231 0.85
SCHEMBL23541550 0.83 EPHX1 (0.36) ESR1ESR2CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL1584359 0.83 EPHX2 (0.30)
Alcohol SCHEMBL9949940 0.80
SCHEMBL16840999 0.80 ESR2 (0.38) ESR2
SCHEMBL19184740 0.80 ESR2 (0.38) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062410-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME ACLARIS THERAPEUTICS INC (US) 2026-03-05 US disclosed
US-12281111-B2 Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same ACLARIS THERAPEUTICS, INC. (US) 2025-04-22 US disclosed
CN-119119039-A Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same 阿克拉瑞斯治疗股份有限公司 2024-12-13 CN disclosed
CN-111566095-B Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same 阿克拉瑞斯治疗股份有限公司 2024-09-27 CN disclosed
CN-114605420-B Synthesis method of olatinib maleate 江苏慧聚药业股份有限公司 2024-07-12 CN disclosed
US-20240067643-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME ACLARIS THERAPEUTICS, INC. 2024-02-29 US disclosed
US-11739086-B2 Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same ACLARIS THERAPEUTICS, INC. (US) 2023-08-29 US disclosed
CN-114605420-A Synthesis method of olatinib maleate 江苏慧聚药业股份有限公司 2022-06-10 CN disclosed
CN-114206872-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists 百济神州有限公司 2022-03-18 CN disclosed
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed
CN-101010004-A Antimicrobial devices and compositions ACRYMED INC (US) 2007-08-01 CN disclosed
CN-1798558-A Benzothiazole derivatives and use thereof in the treatment of diseases related to the adenosine a2a receptor HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
EP-1633355-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
WO-2004105755-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO disclosed
US-20040242576-A1 Urea substituted benzothiazoles HOFFMANN-LA ROCHE INC. 2004-12-02 US disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 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 (7 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-12281111-B2 Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same JAK3, JAK1, JAK2 ESR1 4135/4885ESR2 3828/4885CYP3A4 1926/4885
US-20260062410-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME JAK3, JAK1, JAK2 ESR1 3069/4885ESR2 3351/4885CYP3A4 2505/4885
US-20240067643-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME JAK3, JAK1, JAK2 ESR1 4135/4885ESR2 3828/4885CYP3A4 1926/4885
US-20040242576-A1 Urea substituted benzothiazoles UTS2R, ADRB2, TBXA2R ESR1 434/4885ESR2 69/4885CYP3A4 531/4885
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 ESR1 1849/4885ESR2 701/4885CYP3A4 499/4885
US-11739086-B2 Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same JAK3, JAK1, JAK2 ESR1 4135/4885ESR2 3828/4885CYP3A4 1926/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 ESR1 1849/4885ESR2 701/4885CYP3A4 499/4885

“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.