SCHEMBL5241504

SCHEMBL5241504

CC(C)(C)OC(=O)N1CC2CNCC(C1)N2

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
CHRNB2 P17787 7/20 0.43
CHRNA4 P43681 7/20 0.43
CHRNA3 P32297 6/20 0.43
CHRNB4 P30926 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB3 Q05901 5/20 0.40
CHRNA6 Q15825 5/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
NAMPT P43490 1/20 0.40
HPGD P15428 1/20 0.40
RORC P51449 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 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
Hydrochloric Acid SCHEMBL18038711 0.91 NR1H2 (0.43) NR1H2CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL25409415 0.87 NR1H2 (0.56) NR1H2CHRNB2CHRNA4CHRNA3USP2
SCHEMBL994561 0.87 NR1H2 (0.56) NR1H2CHRNB2CHRNA4CHRNA3USP2
SCHEMBL1979623 0.87 NR1H2 (0.56) NR1H2CHRNB2CHRNA4CHRNA3USP2
SCHEMBL400513 0.86 NR1H2 (0.50) NR1H2CHRNB2CHRNA4CHRNA3USP2
SCHEMBL608991 0.86 NR1H2 (0.50) NR1H2CHRNB2CHRNA4CHRNA3USP2
SCHEMBL22169156 0.86 NR1H2 (0.50) NR1H2CHRNB2CHRNA4CHRNA3USP2
SCHEMBL24884312 0.86 NR1H2 (0.50) NR1H2CHRNB2CHRNA4CHRNA3USP2
Hydrochloric Acid SCHEMBL7149386 0.84 NR1H2 (0.49) NR1H2CHRNB2CHRNA4CHRNA3USP2
SCHEMBL5242607 0.83 NR1H2 (0.47) NR1H2CHRNB2CHRNA4CHRNA3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286637-B Triazabridged ring compounds, intermediate compounds thereof, preparation method and application 成都金博汇康医药科技有限公司 2024-03-22 CN disclosed
CN-115286637-A Triaza-bridged ring compound and intermediate compound, preparation method and application thereof 成都金博汇康医药科技有限公司 2022-11-04 CN disclosed
WO-2022194191-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12D GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-22 WO disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
EP-1794164-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCR1 ANTAGONISTS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2005103054-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCRI ANTAGONISTS NOVARTIS AG (CH) 2005-11-03 WO 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-20070196270-A1 Compounds As Ccri Antagonists CCR1, CCR10, CCR4 NR1H2 140/4885CHRNB2 1716/4885CHRNA4 1504/4885

“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.