SCHEMBL6071732

SCHEMBL6071732

NC(=O)C1C(=O)Nc2ccc[c]c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
POLB P06746 3/20 0.38
BLM P54132 1/20 0.38
IDO1 P14902 3/20 0.35
TDO2 P48775 1/20 0.35
MAPT P10636 8/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33
KDM4E B2RXH2 6/20 0.33
TDP1 Q9NUW8 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
BRPF1 P55201 1/20 0.32
CREBBP Q92793 1/20 0.32
NLRP3 Q96P20 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HPGD P15428 2/20 0.31
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL9589043 0.74 CREBBP (0.44) ALDH1A1POLBIDO1MAPTKDM4E
SCHEMBL7093706 0.73 MAPT (0.55) ALDH1A1POLBIDO1TDO2MAPT
SCHEMBL5801310 0.72 PARP1 (0.34) ALDH1A1POLBBLMIDO1TDO2
SCHEMBL9206122 0.70 MAPT (0.41) ALDH1A1IDO1TDO2MAPTL3MBTL1
SCHEMBL9586633 0.69 PGR (0.40) ALDH1A1POLBBLMIDO1TDO2
SCHEMBL9588250 0.69 BRPF1 (0.36) ALDH1A1IDO1MAPTLMNAKDM4E
SCHEMBL7935414 0.68 ALDH1A1 (0.35) ALDH1A1LMNAATMGAA
SCHEMBL5802590 0.68 SIRT1 (0.31)
SCHEMBL5798728 0.68 IDO1 (0.35) ALDH1A1POLBIDO1TDO2MAPT
SCHEMBL1450805 0.66 ALDH1A1 (0.33) ALDH1A1POLBMAPTKDM4ETDP1

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 ALDH1A1 1117/4885POLB 4711/4885BLM 4882/4885

“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.