SCHEMBL52844

SCHEMBL52844

COC(=O)C1CNCC(C(=O)OC)C1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.69
CHRNA4 P43681 7/20 0.69
CHRNB4 P30926 4/20 0.69
CHRNA3 P32297 4/20 0.69
CHRNA7 P36544 3/20 0.69
BRD4 O60885 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4669293 1.00 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25021936 1.00 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30306973 1.00 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4913359 0.92 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL57209 0.92 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1161371 0.90
Hydrochloric Acid SCHEMBL8103687 0.90 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL27653360 0.88 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL364708 0.88
SCHEMBL5220409 0.87 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719602-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-04-08 EP disclosed
EP-4648851-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE Astrazeneca AB (SE) 2025-11-19 EP disclosed
US-20250051375-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. 2025-02-13 US disclosed
WO-2024249517-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-12-05 WO disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2024-05-16 US disclosed
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof AXIAL THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 EP disclosed
US-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE GENENTECH, INC. (US) 2023-03-02 US disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO disclosed
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia AEBI JOHANNES (CH) 2004-12-02 US disclosed
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 US disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 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 (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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 CHRNB2 2021/4885CHRNA4 2674/4885CHRNB4 2658/4885
US-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 CHRNB2 4483/4885CHRNA4 4462/4885CHRNB4 4624/4885
US-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE ADRM1, SSB, FCER2 CHRNB2 2498/4885CHRNA4 3729/4885CHRNB4 3289/4885
US-20250051375-A1 ANTI-HIV COMPOUNDS CCR5, CD4, NFATC1 CHRNB2 4862/4885CHRNA4 4817/4885CHRNB4 4855/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 CHRNB2 4483/4885CHRNA4 4462/4885CHRNB4 4624/4885
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 CHRNB2 2021/4885CHRNA4 2674/4885CHRNB4 2658/4885
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof TLR2, TLR3, TLR4 CHRNB2 2021/4885CHRNA4 2674/4885CHRNB4 2658/4885
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia MMP1, PEPD, MMP25 CHRNB2 4260/4885CHRNA4 4378/4885CHRNB4 4594/4885

“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.