SCHEMBL3477575

SCHEMBL3477575

CCN1CC(C(=O)N(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 2/20 0.35
DPP4 P27487 1/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
JAK1 P23458 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAP4K4 O95819 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MME P08473 1/20 0.31

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
SCHEMBL4550291 0.84 BCHE (0.55) BCHESMN1; SMN2HSD11B1HTTCYP2D6
SCHEMBL19815625 0.81 BCHE (0.68) BCHESMN1; SMN2HSD11B1HTTMAPT
SCHEMBL22153062 0.81 BCHE (0.50) BCHESMN1; SMN2HTTMAPTKDM4E
SCHEMBL22156369 0.80 SMN1; SMN2 (0.35) BCHESMN1; SMN2HSD11B1HTT
SCHEMBL4550355 0.79 SMN1; SMN2 (0.60) BCHESMN1; SMN2HSD11B1CYP2D6MAPT
SCHEMBL3423029 0.78 BCHE (0.42) BCHESMN1; SMN2DPP4PRMT5WDR77
SCHEMBL22952350 0.76 BCHE (0.40) BCHESMN1; SMN2
SCHEMBL22802560 0.75 CHRNB2 (0.50) BCHEDPP4PRMT5WDR77MAPT
SCHEMBL18505981 0.75 BCHE (0.40) BCHEDPP4PRMT5WDR77CYP2D6
SCHEMBL22157028 0.75 SMN1; SMN2 (0.34) BCHESMN1; SMN2HSD11B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY 2021-05-20 US disclosed
WO-2017027684-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2017-02-16 WO disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (5 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB BCHE 2948/4885SMN1; SMN2 3309/4885HSD11B1 766/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 BCHE 4220/4885SMN1; SMN2 3259/4885HSD11B1 321/4885
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN IKZF2, RPL6, HNRNPR BCHE 4557/4885SMN1; SMN2 487/4885HSD11B1 2574/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD BCHE 3961/4885SMN1; SMN2 2248/4885HSD11B1 690/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR BCHE 4557/4885SMN1; SMN2 487/4885HSD11B1 2574/4885

“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.