SCHEMBL5798722

SCHEMBL5798722

O=C(O)C1CCN(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.65
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
AKR1C3 P42330 1/20 0.54
ME3 Q16798 1/20 0.52
FFAR4 Q5NUL3 2/20 0.52
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
SLC6A7 Q99884 2/20 0.51
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL1222301 0.89 NOTUM (0.79) NOTUMRAB9AAKR1C3ME3CYP2C19
Hydrochloric Acid SCHEMBL6969582 0.87 NOTUM (0.77) NOTUMRAB9AAKR1C3ME3CYP2C19
Hydrochloric Acid SCHEMBL28125955 0.87 NOTUM (0.77) NOTUMRAB9AAKR1C3ME3CYP2C19
SCHEMBL5799181 0.85 NOTUM (0.59) NOTUMCYP2C19USP2ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL28217785 0.85 SMN1; SMN2 (0.62) NOTUMNPC1RAB9AME3FFAR4
SCHEMBL21552512 0.82 KDM4E (0.56) NOTUMAKR1C3ME3CYP2C19KDM4E
SCHEMBL27629722 0.82 ME3 (0.63) NOTUMAKR1C3ME3FFAR4CYP2C19
SCHEMBL13406710 0.82 MGLL (0.60) NOTUMKMT2AMEN1POLBSLC6A7
SCHEMBL2073478 0.81 NOTUM (0.81) NOTUMAKR1C3FFAR4KMT2APOLB
SCHEMBL1749207 0.81 NOTUM (0.81) NOTUMNPC1RAB9AAKR1C3FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US 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 3548/4885NPC1 523/4885RAB9A 3793/4885

“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.