SCHEMBL6072297

SCHEMBL6072297

O=C(Nc1ccon1)C1CCN(c2cccc3cnccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.44
EPHX2 P34913 1/20 0.44
PHGDH O43175 1/20 0.43
P2RX7 Q99572 1/20 0.42
GSK3B P49841 4/20 0.42
TRPV1 Q8NER1 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 3/20 0.41
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.39
DYRK1A Q13627 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 0.81 HCAR2 (0.50) CYP46A1EPHX2PHGDHP2RX7GSK3B
SCHEMBL5802241 0.79 KDM4E (0.48) CYP46A1PHGDHP2RX7GSK3BTRPV1
SCHEMBL6072204 0.76 CYP46A1 (0.41) CYP46A1EPHX2PHGDHP2RX7GSK3B
SCHEMBL5803071 0.73 SMN1; SMN2 (0.56) CYP46A1MAPTKMT2AALDH1A1HSD17B10
SCHEMBL13683685 0.71 CHRM1 (0.49) PHGDHP2RX7TRPV1MAPTKDM4E
Hydrochloric Acid SCHEMBL3859591 0.70 CHRM1 (0.48) CYP46A1PHGDHP2RX7TRPV1MAPT
SCHEMBL5820284 0.69 KDM4E (0.48) CYP46A1PHGDHGSK3BKDM4EHSD17B10
SCHEMBL15488697 0.68 POLB (0.52) PHGDHP2RX7TRPV1MAPTKDM4E
SCHEMBL14860965 0.68 HRH3 (0.61) PHGDHP2RX7L3MBTL1
SCHEMBL16111150 0.68 PHGDH (0.45) PHGDHP2RX7KDM4E

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 3203/4885PHGDH 3571/4885

“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.