SCHEMBL5800979

SCHEMBL5800979

O=C(O)C1CCN(c2cnc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.58
AKR1C3 P42330 1/20 0.57
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
CNR2 P34972 6/20 0.51
CNR1 P21554 3/20 0.51
DRD3 P35462 2/20 0.51
DRD2 P14416 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
DHFR P00374 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NOTUM Q6P988 1/20 0.49
CYP2C19 P33261 1/20 0.49
NEK2 P51955 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
MGAM O43451 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL6072439 0.82 TRPV1 (0.57) HTR3AAKR1C3CHRNB2CHRNA4CNR2
SCHEMBL6505529 0.82 MAPT (0.59) HTR3AAKR1C3KDM4ENPSR1
SCHEMBL5317286 0.81 AKR1C3 (0.70) HTR3AAKR1C3CHRNB2CHRNA4DRD3
Oxalic Acid SCHEMBL8147179 0.81 CHRNB2 (0.63) HTR3AAKR1C3CHRNB2CHRNA4CNR2
SCHEMBL8305711 0.80 HTR3A (0.64) HTR3AAKR1C3CHRNB2CHRNA4CNR2
SCHEMBL11978706 0.80 HTR3A (0.68) HTR3AAKR1C3CHRNB2CHRNA4CNR2
SCHEMBL6072123 0.80 TRPV1 (0.56) HTR3AAKR1C3CHRNB2CHRNA4CNR2
SCHEMBL1729026 0.79 CHRM4 (0.59) HTR3AAKR1C3CHRNB2CHRNA4CNR2
SCHEMBL5799831 0.79 NOTUM (0.55) HTR3AAKR1C3KDM4ENOTUMPDE3B
SCHEMBL6931564 0.78 HCRTR1 (0.62) HTR3AKDM4ENOTUMCYP2C19NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
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
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 HTR3A 415/4885AKR1C3 1494/4885CHRNB2 1088/4885

“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.