SCHEMBL5803071

SCHEMBL5803071

O=C(Nc1ccon1)C1CCN(c2csc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.39
MTNR1A P48039 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
TP53 P04637 1/20 0.38
FAAH O00519 1/20 0.38
KMT2A Q03164 1/20 0.38
GAPDH P04406 1/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37

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
SCHEMBL5801872 0.78 POLB (0.47) LMNAHSD17B10MAPTMALT1TP53
SCHEMBL5798515 0.76 NOTUM (0.48) HPGDLMNAMAPTTP53KMT2A
SCHEMBL5801876 0.76 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL5801425 0.74 HSD17B10 (0.41) HSD17B10MAPTMTNR1ACYP46A1MALT1
SCHEMBL6072297 0.73 CYP46A1 (0.44) ALDH1A1HSD17B10MAPTCYP46A1KMT2A
SCHEMBL28457139 0.68 PTPN2 (0.62) HPGDNPC1RAB9AKMT2A
SCHEMBL18396011 0.67 FLT3 (0.49) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL27205423 0.65 PRKDC (0.51) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL15033550 0.65 MAPT (0.50) HPGDALDH1A1LMNAHSD17B10MAPT
SCHEMBL5801373 0.63 ME3 (0.51) ALDH1A1HSD17B10MAPTMALT1TP53

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
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 SMN1; SMN2 4223/4885HPGD 977/4885ALDH1A1 1117/4885

“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.