SCHEMBL891631

SCHEMBL891631

NCCn1c(=O)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNMA1 Q12791 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ABCB11 O95342 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL4953055 0.89 KDM4E (0.52) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL1858719 0.84 MAPT (0.47) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL11508567 0.83 MAPT (0.49) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL11506335 0.83 MAPT (0.52) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL7191032 0.83 RORA (0.50) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL9725486 0.82 MAPT (0.48) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL4812194 0.82 ABCB11 (0.52) HSP90AA1MEN1CYP1A2CYP3A4MAPT
Hydrochloric Acid SCHEMBL9725510 0.81 MAPT (0.47) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL7184199 0.78 MEN1 (0.47) HSP90AA1MEN1CYP1A2CYP3A4MAPT
SCHEMBL13195012 0.77 MAPT (0.57) HSP90AA1MEN1CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268273-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON PHARMACEUTICALS INC (US) 2017-06-28 EP claimed
EP-1986622-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORP (US) 2013-10-02 EP claimed
US-7741355-B2 Small-molecule modulators of TRP-p8 activity DENDREON CORPORATION (US) 2010-06-22 US claimed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US claimed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US claimed
EP-2268273-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON PHARMACEUTICALS INC (US) 2017-06-28 EP disclosed
US-8618155-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-31 US disclosed
US-8614243-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-24 US disclosed
EP-1986622-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORP (US) 2013-10-02 EP disclosed
EP-2510925-A2 Small-Molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2012-10-17 EP disclosed
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-09-06 US disclosed
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US disclosed
US-7772266-B2 treating or preventing benign prostatic hyperplasia, enlarged prostate, acute urinary retention with 2-Isopropyl-5-methyl-cyclohexanecarboxylic acid (2-amino-2-phenyl-ethyl)-amide; agonists or antagonists of a transient receptor potential proteins; anticarcinogenic agent DENDREON CORPORATION (US) 2010-08-10 US disclosed
US-7741355-B2 Small-molecule modulators of TRP-p8 activity DENDREON CORPORATION (US) 2010-06-22 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 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 (4 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-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 HSP90AA1 2196/4885MEN1 2510/4885CYP1A2 4653/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 HSP90AA1 2196/4885MEN1 2510/4885CYP1A2 4653/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 HSP90AA1 2196/4885MEN1 2510/4885CYP1A2 4653/4885
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 HSP90AA1 2196/4885MEN1 2510/4885CYP1A2 4653/4885

“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.