SCHEMBL12876362

SCHEMBL12876362

CCC(=O)N1CCC(CC(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.46
EPHX1 P07099 2/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL12876369 0.89 EPHX2 (0.41) EPHX2EPHX1ALDH1A1NPC1CHRNB2
SCHEMBL22150392 0.89 EPHX2 (0.41) EPHX2EPHX1ALDH1A1NPC1CHRNB2
SCHEMBL12536206 0.85 ALDH1A1 (0.43) ALDH1A1NPC1GNAI3GNAO1GNAI1
SCHEMBL18232473 0.84 CPN1 (0.47) ALDH1A1NPC1GNAI3GNAO1GNAI1
SCHEMBL29291140 0.82 HRH3 (0.45) ALDH1A1NPC1POLBMEN1KMT2A
SCHEMBL23842171 0.82 EPHX2 (0.44) EPHX2EPHX1ALDH1A1CHRNB2CHRNA3
SCHEMBL8252575 0.82 ALDH1A1 (0.41) ALDH1A1NPC1MEN1KMT2A
SCHEMBL26375593 0.82 NPC1 (0.49) ALDH1A1NPC1GNAI3GNAO1GNAI1
SCHEMBL101964 0.81 HPGD (0.48) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL27793398 0.81 ALDH1A1 (0.40) ALDH1A1NPC1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 US 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
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 2972/4885EPHX1 2472/4885ALDH1A1 3854/4885
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 EPHX2 3082/4885EPHX1 2537/4885ALDH1A1 3889/4885
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 EPHX2 3082/4885EPHX1 2537/4885ALDH1A1 3889/4885
US-20110046131-A1 PURINES AS PKC-THETA INHIBITORS PRKCQ, PRKCE, PRKCH EPHX2 1417/4885EPHX1 1471/4885ALDH1A1 4413/4885
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, MCL1 EPHX2 2972/4885EPHX1 2472/4885ALDH1A1 3854/4885
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, BCL9 EPHX2 3082/4885EPHX1 2537/4885ALDH1A1 3889/4885

“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.