SCHEMBL625121

SCHEMBL625121

O=C(c1ccccn1)C1(c2cc(F)cc(C(F)(F)F)c2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR3C1 P04150 2/20 0.38
GRM4 Q14833 2/20 0.38
KCNH2 Q12809 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 3/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL624708 0.93 TLR7 (0.44) TLR7ALDH1A1MEN1KMT2AGRM4
SCHEMBL624174 0.86 TLR7 (0.50) TLR7ALDH1A1MEN1KMT2ANR3C1
SCHEMBL15011536 0.84 TLR7 (0.51) TLR7ALDH1A1MEN1KMT2ANR3C1
SCHEMBL15011470 0.82 P2RX7 (0.50) TLR7ALDH1A1KMT2ATDP1SMN1; SMN2
SCHEMBL625186 0.80 P2RX7 (0.46) TLR7ALDH1A1MEN1KMT2ANR3C1
SCHEMBL14893822 0.80 TLR7 (0.40) TLR7ALDH1A1MEN1KMT2AGRM4
SCHEMBL625389 0.79 HDAC1 (0.46) NR3C1GRM4PDE2ACTNNB1WNT3A
SCHEMBL625024 0.79 GRM4 (0.54) TLR7NR3C1GRM4TDP1PDE2A
SCHEMBL626241 0.79 PDE2A (0.45) TLR7ALDH1A1MEN1KMT2ANR3C1
SCHEMBL14893703 0.79 TLR7 (0.44) TLR7ALDH1A1MEN1KMT2AGRM4

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
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TLR7 1619/4885ALDH1A1 2560/4885MEN1 4188/4885

“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.