SCHEMBL4340453

SCHEMBL4340453

COC(=O)N1CCNCC1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
DPP4 P27487 1/20 0.38
PLD1 Q13393 1/20 0.36
BRPF1 P55201 2/20 0.34
BRD4 O60885 1/20 0.34
BRD1 O95696 1/20 0.34
BRPF3 Q9ULD4 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HTR2C P28335 1/20 0.33
PAK4 O96013 2/20 0.32
MMP1 P03956 1/20 0.32

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 SCHEMBL17560448 0.98 TSHR (0.50) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL17560424 0.98 TSHR (0.50) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL17560440 0.98 TSHR (0.50) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
Tert-Butyl Formate SCHEMBL28060457 0.85 TSHR (0.39) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
Tert-Butyl Formate SCHEMBL28060454 0.85 TSHR (0.39) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4813100 0.85 DPP4 (0.40) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8206794 0.82 DPP4 (0.39) TSHRDPP4HTR2C
SCHEMBL953150 0.82 DPP4 (0.39) TSHRDPP4HTR2C
SCHEMBL954848 0.82 DPP4 (0.39) TSHRDPP4HTR2C
SCHEMBL953151 0.82 DPP4 (0.39) TSHRDPP4HTR2C

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-111511361-A Aminocarbonate and urea compounds as multikinase inhibitors 安杰斯制药公司 2020-08-07 CN disclosed
WO-2013095275-A1 NOVEL HEPATITIS C VIRUS INHIBITORS MEDIVIR AB (SE) 2013-06-27 WO disclosed
US-7569690-B2 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-08-04 US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 US disclosed
CN-100360510-C Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINECHEMICALS CO LTD (JP) 2008-01-09 CN disclosed
US-7262198-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2006-07-20 US disclosed
CN-1681797-A Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINECHEMICALS CO LTD (JP) 2005-10-12 CN disclosed
EP-1548010-A1 PROCESS FOR PRODUCING OXYCARBONYL-SUBSTITUTED PIPERAZINE DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2005-06-29 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 (2 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-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A TSHR 3964/4885CHRNB2 3872/4885CHRNA4 3011/4885
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative DHPS, AQP4, OGFOD1 TSHR 4687/4885CHRNB2 4680/4885CHRNA4 4604/4885

“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.