SCHEMBL5244516

SCHEMBL5244516

CNC(=O)OCCOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
MAPK1 P28482 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
NFKB1 P19838 1/20 0.50
CHRM3 P20309 1/20 0.50
CHRNA7 P36544 1/20 0.50
LMNA P02545 1/20 0.48
APEX1 P27695 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX1 P07099 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 5/20 0.43
ACHE P22303 2/20 0.41
THRB P10828 1/20 0.39

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
SCHEMBL21458805 1.00 CHRNB2 (0.50) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL21069231 1.00 CHRNB2 (0.50) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL5250584 1.00 CHRNB2 (0.50) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL8403603 0.91 CHRNB2 (0.58) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL10815020 0.91 CHRNB2 (0.58) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL22631510 0.88 EPHX1 (0.55) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL852267 0.86
SCHEMBL21001065 0.84 CHRNB2 (0.44) CHRNB2CHRNA4MAPK1CHRM2CHRM4
Hydrochloric Acid SCHEMBL27700989 0.84
SCHEMBL16541245 0.83 CHRNB2 (0.65) CHRNB2CHRNA4MAPK1CHRM2CHRM4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS GENENTECHT, INC. (US) 2023-08-03 US disclosed
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4114830-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS Genentech, Inc. (US) 2023-01-11 EP disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
EP-3774777-A2 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 US disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 US disclosed
EP-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 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 (10 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-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CHRNB2 4503/4885CHRNA4 4510/4885MAPK1 2017/4885
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CHRNB2 4503/4885CHRNA4 4510/4885MAPK1 2017/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CHRNB2 4503/4885CHRNA4 4510/4885MAPK1 2017/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL CHRNB2 2742/4885CHRNA4 4287/4885MAPK1 3784/4885
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS TEAD1, TEAD2, TEAD4 CHRNB2 4688/4885CHRNA4 4837/4885MAPK1 2821/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL CHRNB2 2742/4885CHRNA4 4287/4885MAPK1 3784/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CHRNB2 4503/4885CHRNA4 4510/4885MAPK1 2017/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CHRNB2 4503/4885CHRNA4 4510/4885MAPK1 2017/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL CHRNB2 2742/4885CHRNA4 4287/4885MAPK1 3784/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CHRNB2 4503/4885CHRNA4 4510/4885MAPK1 2017/4885

“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.