SCHEMBL12876369

SCHEMBL12876369

CCC(=O)N1CCC(CC(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA7 P36544 2/20 0.40
EPHX1 P07099 1/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TACR3 P29371 1/20 0.38
PIK3CD O00329 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL22150392 1.00 EPHX2 (0.41) EPHX2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19229743 0.90 MEN1 (0.45) EPHX2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL12876362 0.89 EPHX2 (0.46) EPHX2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19229738 0.89 MEN1 (0.41) EPHX2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL24614018 0.86 SMN1; SMN2 (0.44) EPHX2ALDH1A1TACR3MEN1POLB
SCHEMBL12448272 0.86 DPP4 (0.39) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL18532202 0.85 CHRNB2 (0.50) EPHX2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20233003 0.83 NPC1 (0.42) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL25468526 0.83 HSD17B10 (0.38) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL17522138 0.82 PIK3CD (0.43) EPHX2EPHX1DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 US disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed
US-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-28 US disclosed
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US disclosed
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 US disclosed
EP-2890691-B1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2018-04-25 EP disclosed
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-17 US disclosed
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-17 US disclosed
US-20110046131-A1 PURINES AS PKC-THETA INHIBITORS N.V. Organon and Pharmacopeia, LLC 2011-02-24 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 (6 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-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, MCL1 EPHX2 2972/4885CHRNB2 4814/4885CHRNA3 4810/4885
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 EPHX2 3082/4885CHRNB2 4827/4885CHRNA3 4828/4885
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 EPHX2 3082/4885CHRNB2 4827/4885CHRNA3 4828/4885
US-20110046131-A1 PURINES AS PKC-THETA INHIBITORS PRKCQ, PRKCE, PRKCH EPHX2 1417/4885CHRNB2 143/4885CHRNA3 175/4885
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, MCL1 EPHX2 2972/4885CHRNB2 4814/4885CHRNA3 4810/4885
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, BCL9 EPHX2 3082/4885CHRNB2 4827/4885CHRNA3 4828/4885

“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.