SCHEMBL2288917

SCHEMBL2288917

Cc1nc(Cl)oc1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CASP3 P42574 2/20 0.44
KMT2A Q03164 3/20 0.36
METAP1 P53582 1/20 0.35
KIF11 P52732 1/20 0.35
PDE2A O00408 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
AHR P35869 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL472556 0.78 MAPT (0.41) CASP3KMT2AKIF11AHR
SCHEMBL472372 0.77 CA2 (0.33) KDM4ECASP3L3MBTL1MBOAT4NPC1
SCHEMBL472468 0.74 KDM4E (0.44) NPSR1KDM4ECASP3KMT2AKIF11
SCHEMBL472356 0.72 HSD11B1 (0.46) PDE2A
SCHEMBL472359 0.72 PDE2A (0.38) PDE2ATRPV3
SCHEMBL24636938 0.72 NPSR1 (0.47) NPSR1KDM4ECASP3KMT2AKIF11
SCHEMBL29620948 0.72 NPSR1 (0.47) NPSR1KDM4ECASP3KMT2AKIF11
SCHEMBL811160 0.71 NPSR1 (0.53) NPSR1KDM4ECASP3KMT2AKIF11
SCHEMBL29595709 0.71 NPSR1 (0.53) NPSR1KDM4ECASP3KMT2AKIF11
SCHEMBL5486938 0.71 METAP1 (0.50) NPSR1KDM4ECASP3KMT2AMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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 (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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 NPSR1 50/4885KDM4E 3900/4885CASP3 2715/4885

“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.