SCHEMBL5799181

SCHEMBL5799181

O=C(O)C1CCN(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.59
HTR1A P08908 1/20 0.55
HTR7 P34969 1/20 0.55
USP2 O75604 6/20 0.53
HSD17B10 Q99714 5/20 0.53
CYP1A2 P05177 5/20 0.53
CYP2D6 P10635 4/20 0.53
MAPK1 P28482 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 4/20 0.50
PDK2 Q15119 1/20 0.50
F10 P00742 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL15578214 0.90 HTR1A (0.58) NOTUMHTR1AHTR7USP2CYP1A2
SCHEMBL25403278 0.87 USP2 (0.56) NOTUMUSP2HSD17B10CYP1A2MAPK1
SCHEMBL5798722 0.85 NOTUM (0.65) NOTUMUSP2HSD17B10CYP1A2MAPK1
SCHEMBL1222301 0.85 NOTUM (0.79) NOTUMCYP2C19
SCHEMBL15578248 0.84 KDM4E (0.56) NOTUMF10CYP2C19
SCHEMBL3106854 0.84 KMT2A (0.60) HTR1AHTR7USP2HSD17B10CYP1A2
SCHEMBL3108914 0.84 KMT2A (0.56) HTR1AHTR7USP2HSD17B10CYP1A2
Hydrochloric Acid SCHEMBL28125955 0.83 NOTUM (0.77) NOTUMCYP2C19
Hydrochloric Acid SCHEMBL6969582 0.83 NOTUM (0.77) NOTUMCYP2C19
SCHEMBL3099046 0.83 KMT2A (0.59) HTR1AHTR7USP2HSD17B10CYP1A2

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
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 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 3548/4885HTR1A 186/4885HTR7 536/4885

“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.