SCHEMBL2421306

SCHEMBL2421306

O=C(O)C1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 11/20 0.70
KDM4E B2RXH2 1/20 0.62
CYP2C19 P33261 1/20 0.62
NEK2 P51955 1/20 0.60
TRPV1 Q8NER1 1/20 0.58
NOTUM Q6P988 2/20 0.54
KMT2A Q03164 1/20 0.52

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
SCHEMBL16769731 0.87 MALT1 (0.64) MALT1TRPV1KMT2A
SCHEMBL4879872 0.84 KDM4E (0.60) MALT1KDM4ECYP2C19NEK2NOTUM
SCHEMBL238160 0.84 KDM4E (0.60) MALT1KDM4ECYP2C19NEK2TRPV1
SCHEMBL4524152 0.84 NEK2 (0.67) MALT1KDM4ECYP2C19NEK2NOTUM
SCHEMBL5220685 0.83 MALT1 (0.64) MALT1CYP2C19TRPV1KMT2A
SCHEMBL2425939 0.83 MALT1 (0.64) MALT1KDM4ETRPV1KMT2A
SCHEMBL10324446 0.83 MALT1 (0.59) MALT1TRPV1
SCHEMBL13714900 0.83 MALT1 (1.00) MALT1TRPV1
SCHEMBL3104049 0.81 NEK2 (0.59) MALT1KDM4ECYP2C19NEK2NOTUM
SCHEMBL4869311 0.81 MALT1 (0.55) MALT1

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 MALT1 709/4885KDM4E 3444/4885CYP2C19 985/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 MALT1 563/4885KDM4E 3639/4885CYP2C19 1021/4885

“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.