SCHEMBL5798515

SCHEMBL5798515

O=C(O)C1CCN(c2csc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.48
MAPT P10636 9/20 0.46
TP53 P04637 4/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.44
APAF1 O14727 1/20 0.43
NSD2 O96028 1/20 0.43
THRB P10828 1/20 0.43
CASP3 P42574 1/20 0.43
RECQL P46063 1/20 0.43
GALK1 P51570 1/20 0.43
KMT2A Q03164 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
LMNA P02545 3/20 0.43

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
SCHEMBL5803071 0.76 SMN1; SMN2 (0.56) MAPTTP53KMT2ALMNAHPGD
SCHEMBL5800932 0.73 NOTUM (0.81) NOTUMMAPTKDM4ECYP2C19POLB
SCHEMBL5801876 0.73 ALDH1A1 (0.45) TP53KDM4EPOLBKMT2ALMNA
SCHEMBL15033550 0.72 MAPT (0.50) MAPTTP53POLBCASP3RECQL
SCHEMBL27205423 0.72 PRKDC (0.51) MAPTTP53KDM4ECASP3KMT2A
SCHEMBL7815883 0.72 HTR6 (0.53) MAPTTP53KDM4ELMNAHPGD
SCHEMBL13893217 0.72 NOTUM (0.55) NOTUMMAPTKDM4ECYP2C19POLB
SCHEMBL1222301 0.71 NOTUM (0.79) NOTUMMAPTKDM4ECYP2C19POLB
SCHEMBL5798551 0.71 NOTUM (0.58) NOTUMMAPTKDM4ECYP2C19POLB
SCHEMBL5800091 0.71 NOTUM (0.58) NOTUMMAPTKDM4ECYP2C19POLB

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 4 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

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 3548/4885MAPT 4590/4885TP53 3948/4885

“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.