SCHEMBL6072204

SCHEMBL6072204

O=C(Nc1ncnc2nccnc12)C1CCN(c2cccc3cnccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 4/20 0.41
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
P2RX7 Q99572 1/20 0.40
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PHGDH O43175 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GSK3B P49841 2/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL6072449 0.77 HCAR2 (0.50) CYP46A1EPHX2KDM4ETP53L3MBTL1
SCHEMBL5801425 0.77 HSD17B10 (0.41) CYP46A1KDM4ETP53L3MBTL1RXFP1
SCHEMBL6072297 0.76 CYP46A1 (0.44) CYP46A1EPHX2KDM4EL3MBTL1P2RX7
SCHEMBL5802241 0.75 KDM4E (0.48) CYP46A1KDM4EP2RX7PHGDHTRPV1
SCHEMBL13683685 0.68 CHRM1 (0.49) KDM4EP2RX7MEN1KMT2APHGDH
SCHEMBL15775448 0.67 NPC1 (0.56) KDM4ETP53L3MBTL1RXFP1THRB
Hydrochloric Acid SCHEMBL3859591 0.67 CHRM1 (0.48) CYP46A1KDM4ETP53P2RX7MEN1
SCHEMBL5820284 0.66 KDM4E (0.48) CYP46A1KDM4EPHGDHGSK3B
SCHEMBL16111150 0.65 PHGDH (0.45) KDM4EP2RX7PHGDH
SCHEMBL14860965 0.65 HRH3 (0.61) L3MBTL1P2RX7PHGDH

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
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

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 CYP46A1 3558/4885EPHX2 3203/4885KDM4E 2664/4885

“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.