SCHEMBL3010332

SCHEMBL3010332

NC(=O)OC[C@@H]1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
CYP2D6 P10635 1/20 0.47
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
SLC6A1 P30531 4/20 0.40
SLC6A11 P48066 3/20 0.40
SLC6A13 Q9NSD5 3/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3243645 1.00 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL3402477 1.00 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL17494202 0.89 SLC6A1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL28249888 0.89 SLC6A1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL28249924 0.89 SLC6A1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL27271782 0.82 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL27271788 0.82 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
Hydrochloric Acid SCHEMBL28750161 0.81 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL23175088 0.81
SCHEMBL22751962 0.79 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A

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
CN-119053590-A Modulators of MYC family protooncogene proteins 纳罗医疗公司 2024-11-29 CN disclosed
CN-117534665-A Diacylglycerol kinase inhibitors 山东轩竹医药科技有限公司 2024-02-09 CN disclosed
CN-117510497-A DGK zeta inhibitors 山东轩竹医药科技有限公司 2024-02-06 CN disclosed
CN-117412964-A Substituted heterocyclic compounds and their use 首药控股(北京)股份有限公司 2024-01-16 CN disclosed
CN-110267960-B Substituted pyrazolo [1,5-a ] pyrazine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-04-26 CN disclosed
CN-113924292-A Antimicrobial compounds and methods 库扎环球有限责任公司 2022-01-11 CN disclosed
CN-113365996-A Imidazopyridine derivative compounds and uses thereof 韩美药品株式会社 2021-09-07 CN disclosed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
EP-2167196-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS Glaxo Group Limited (GB) 2010-03-31 EP disclosed
WO-2009000745-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-12-31 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-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT CHRNB2 2856/4885CHRNB4 3098/4885CHRNA3 2686/4885

“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.