SCHEMBL1021817

SCHEMBL1021817

c1ccc(CN2CC3CC3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.60
KDM1A O60341 1/20 0.59
SIGMAR1 Q99720 1/20 0.58
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
S1PR1 P21453 1/20 0.51
S1PR5 Q9H228 1/20 0.51
GRIN2B Q13224 2/20 0.51
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.50
BACE1 P56817 1/20 0.50
GBA1 P04062 1/20 0.50

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
SCHEMBL13783796 1.00 FUCA1 (0.60) FUCA1KDM1ASIGMAR1DRD2DRD3
SCHEMBL12372536 1.00 FUCA1 (0.60) FUCA1KDM1ASIGMAR1DRD2DRD3
Hydrochloric Acid SCHEMBL15751188 0.98 FUCA1 (0.58) FUCA1KDM1ASIGMAR1DRD2DRD3
SCHEMBL5242542 0.91 FUCA1 (0.64) FUCA1KDM1ASIGMAR1DRD2DRD3
SCHEMBL23939426 0.88 FUCA1 (0.68) FUCA1KDM1ASIGMAR1DRD2DRD3
SCHEMBL22796181 0.88 ACHE (0.58) FUCA1KDM1ASIGMAR1DRD2DRD3
SCHEMBL4090277 0.88 KDM1A (0.54) FUCA1KDM1ASIGMAR1DRD2DRD3
SCHEMBL20858838 0.88 FUCA1 (0.53) FUCA1KDM1ASIGMAR1DRD2DRD3
SCHEMBL21561563 0.88 FUCA1 (0.68) FUCA1KDM1ASIGMAR1DRD2DRD3
SCHEMBL13291911 0.88 ACHE (0.58) FUCA1KDM1ASIGMAR1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007128-B1 DERIVATIVES OF 3-AZABICYCLO(3.1.0)HEXANE AND PROCESSES FOR THEIR PREPARATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-02-16 EP claimed
EP-0008813-B1 PROCESSES FOR THE PREPARATION OF 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-12-01 EP claimed
EP-0008813-A1 Processes for the preparation of 3-azabicyclo(3.1.0)hexane derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-03-19 EP claimed
EP-0007128-A1 Derivatives of 3-azabicyclo(3.1.0)hexane and processes for their preparation SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-01-23 EP claimed
US-4183857-A 3-Benzyl-3-azabicyclo(3.1.0)hexane-2,4-dione SHELL OIL COMPANY (US) 1980-01-15 US claimed
US-12459927-B2 Plasma kallikrein inhibitors MERCK SHARP & DOHME LLC (US) 2025-11-04 US disclosed
CN-115989224-B Plasma kallikrein inhibitors 默沙东有限责任公司 2025-02-25 CN disclosed
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 US disclosed
EP-3856735-B1 FUSED BICYCLIC HETEROCYCLES AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-09-06 EP disclosed
EP-4164634-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-04-19 EP disclosed
EP-3291810-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2022-08-10 EP disclosed
WO-2021257353-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 WO disclosed
WO-2004052857-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-06-24 WO disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed
EP-0007128-B1 DERIVATIVES OF 3-AZABICYCLO(3.1.0)HEXANE AND PROCESSES FOR THEIR PREPARATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-02-16 EP disclosed
EP-0008813-B1 PROCESSES FOR THE PREPARATION OF 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-12-01 EP disclosed
EP-0007128-A1 Derivatives of 3-azabicyclo(3.1.0)hexane and processes for their preparation SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-01-23 EP disclosed
EP-0007128-A1 Derivatives of 3-azabicyclo(3.1.0)hexane and processes for their preparation SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-01-23 EP disclosed
US-4183857-A 3-Benzyl-3-azabicyclo(3.1.0)hexane-2,4-dione SHELL OIL COMPANY (US) 1980-01-15 US disclosed
US-4183857-A 3-Benzyl-3-azabicyclo(3.1.0)hexane-2,4-dione SHELL OIL COMPANY (US) 1980-01-15 US 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-20230286958-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 FUCA1 399/4885KDM1A 881/4885SIGMAR1 4852/4885
US-12459927-B2 Plasma kallikrein inhibitors KLKB1, SERPINE1, KLK5 FUCA1 399/4885KDM1A 881/4885SIGMAR1 4852/4885

“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.