SCHEMBL2419015

SCHEMBL2419015

CNC(=O)C1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
PTPN1 P18031 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL2419018 0.94 PDK1 (0.51) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL8487526 0.86 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL781549 0.86 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL7647340 0.86 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL26477642 0.84 NPSR1 (0.68) NPSR1KMT2ATSHRL3MBTL1KDM4E
SCHEMBL8426716 0.84 NPSR1 (0.68) NPSR1KMT2ATSHRL3MBTL1KDM4E
SCHEMBL8428146 0.84 NPSR1 (0.68) NPSR1KMT2ATSHRL3MBTL1KDM4E
SCHEMBL15129875 0.84 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL16584060 0.84 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL10154053 0.83 NPSR1 (0.64) RAB9ANPSR1KMT2ATSHRL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 US disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 US disclosed
EP-1551811-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Amgen Inc. (US) 2005-07-13 EP disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 US disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 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 (2 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-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 SMN1; SMN2 3029/4885NPC1 2899/4885RAB9A 2043/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 SMN1; SMN2 3307/4885NPC1 2654/4885RAB9A 2352/4885

“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.