SCHEMBL5798534

SCHEMBL5798534

O=C(O)C1CCN(c2cccnc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.59
KDM4E B2RXH2 2/20 0.58
CYP2C19 P33261 1/20 0.55
GPR119 Q8TDV5 1/20 0.54
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 5/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL31516268 0.92 NOTUM (0.71) NOTUMKDM4ECHRNB2CHRNA4CHRNB4
SCHEMBL4392645 0.86 GPR119 (0.53) NOTUMKDM4EGPR119CHRNB2CHRNA4
SCHEMBL30663949 0.86 GPR119 (0.53) NOTUMKDM4EGPR119CHRNB2CHRNA4
SCHEMBL15379126 0.84 CHRNB2 (0.55) NOTUMKDM4ECHRNB2CHRNA4CHRNB4
SCHEMBL26107713 0.84 NOTUM (0.59) NOTUMKDM4ECHRNB2CHRNA4CHRNB4
SCHEMBL31401347 0.82 KDM4E (0.61) KDM4EGPR119CHRNB2CHRNA4CHRNB4
SCHEMBL30664035 0.82 KDM4E (0.61) KDM4EGPR119CHRNB2CHRNA4CHRNB4
SCHEMBL5585999 0.82 CHRNB2 (0.54) NOTUMKDM4EGPR119CHRNB2CHRNA4
SCHEMBL30098451 0.82 CHRNB2 (0.54) NOTUMKDM4EGPR119CHRNB2CHRNA4
SCHEMBL1222301 0.81 NOTUM (0.79) NOTUMKDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756779-A Synthesis method of 1- (pyridine-3-yl) piperidine-4-carboxylic acid 宁波职业技术学院 2024-03-26 CN claimed
CN-117756779-A Synthesis method of 1- (pyridine-3-yl) piperidine-4-carboxylic acid 宁波职业技术学院 2024-03-26 CN disclosed
CN-117756779-A Synthesis method of 1- (pyridine-3-yl) piperidine-4-carboxylic acid 宁波职业技术学院 2024-03-26 CN disclosed
CN-117756779-A Synthesis method of 1- (pyridine-3-yl) piperidine-4-carboxylic acid 宁波职业技术学院 2024-03-26 CN disclosed
CN-106061990-B A kind of abiraterone derivative and preparation method thereof and medical usage 四川海思科制药有限公司 2019-09-10 CN disclosed
CN-105646637-B A kind of abiraterone derivative and preparation method thereof and medical usage 四川海思科制药有限公司 2018-12-14 CN disclosed
CN-106061990-A Abiraterone derivative, and preparation method therefor and medical applications thereof 四川海思科制药有限公司 2016-10-26 CN disclosed
CN-105646637-A Abiraterone derivative, preparation method and medical applications thereof 四川海思科制药有限公司 2016-06-08 CN disclosed
WO-2016082792-A1 ABIRATERONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL APPLICATIONS THEREOF 四川海思科制药有限公司 2016-06-02 WO disclosed
WO-2016082792-A1 ABIRATERONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL APPLICATIONS THEREOF 四川海思科制药有限公司 2016-06-02 WO disclosed
CN-102939283-B Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV 2015-06-03 CN disclosed
CN-102939283-A Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV 2013-02-20 CN disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 NOTUM 3548/4885KDM4E 2664/4885CYP2C19 2800/4885

“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.