SCHEMBL11064005

SCHEMBL11064005

CNC(=O)C(C)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
ATM Q13315 2/20 0.36
OPRD1 P41143 3/20 0.35
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL11063231 0.82 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM3ATMOPRD1
SCHEMBL11293431 0.81 ATM (0.50) SIGMAR1ATMKDM4EMEN1KMT2A
SCHEMBL5504463 0.81 SIGMAR1 (0.39) SIGMAR1CHRM5CHRM3OPRD1CYP1A2
Hydrochloric Acid SCHEMBL5485542 0.81 SIGMAR1 (0.52) SIGMAR1CHRM5CHRM3ATMOPRD1
SCHEMBL27536506 0.81 SIGMAR1 (0.46) SIGMAR1CHRM5CHRM3OPRD1CYP1A2
SCHEMBL11067387 0.79 SIGMAR1 (0.51) SIGMAR1CHRM5CHRM3ATMOPRD1
SCHEMBL6678936 0.79 SIGMAR1 (0.58) SIGMAR1CHRM5CHRM3OPRD1KDM4E
SCHEMBL1899938 0.78 KDM4E (0.54) SIGMAR1CHRM5CHRM3KDM4EALDH1A1
SCHEMBL11060305 0.78 SIGMAR1 (0.57) SIGMAR1CHRM5CHRM3ATMOPRD1
SCHEMBL23866534 0.78 KDM4E (0.53) ATMCYP1A2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2024-08-22 US disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed
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-4478838-A VASODILATOR AGENTS HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1984-10-23 US disclosed
EP-0083712-A1 1-(3,4,5-Trimethoxycinnamoyl)-4-aminocarbonylethyl-substituted piperazine derivatives and a process for the preparation thereof Hokuriku Pharmaceutical Co.,Ltd (JP) 1983-07-20 EP 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 (1 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-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE ITK, NFATC1, TNIK SIGMAR1 4707/4885CHRM5 4841/4885CHRM3 4785/4885

“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.