SCHEMBL6163699

SCHEMBL6163699

COc1ccc(-c2cc(C(=O)N3CCC[C@H]3CO)c3ccccc3n2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
HSP90AA1 P07900 1/20 0.53
TRPV1 Q8NER1 2/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PREP P48147 1/20 0.48
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL6163817 1.00 POLB (0.55) POLBHSP90AA1TRPV1RAB9ATDP1
SCHEMBL6165715 1.00 POLB (0.55) POLBHSP90AA1TRPV1RAB9ATDP1
SCHEMBL6163166 0.92 RAB9A (0.53) POLBHSP90AA1RAB9AKDM4EALDH1A1
SCHEMBL6162969 0.92 RAB9A (0.53) POLBHSP90AA1RAB9AKDM4EALDH1A1
SCHEMBL6164654 0.92 RAB9A (0.53) POLBHSP90AA1RAB9AKDM4EALDH1A1
SCHEMBL6163055 0.89 TRPV1 (0.44) POLBHSP90AA1TRPV1TDP1KDM4E
SCHEMBL6162249 0.89 TRPV1 (0.44) POLBHSP90AA1TRPV1TDP1KDM4E
SCHEMBL6161799 0.89 TRPV1 (0.44) POLBHSP90AA1TRPV1TDP1KDM4E
SCHEMBL7236604 0.89 POLB (0.48) POLBHSP90AA1TRPV1RAB9AKDM4E
SCHEMBL7236610 0.89 POLB (0.48) POLBHSP90AA1TRPV1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed
US-20040048867-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2004-03-11 US claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 US claimed
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 US claimed

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-20020161008-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 POLB 1324/4885HSP90AA1 4765/4885TRPV1 1234/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 POLB 1324/4885HSP90AA1 4765/4885TRPV1 1234/4885

“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.