SCHEMBL626241

SCHEMBL626241

O=C(c1ccccn1)C1(c2ccc(C(F)(F)F)cc2F)CCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.45
TLR7 Q9NYK1 4/20 0.43
ALDH1A1 P00352 2/20 0.40
GRM4 Q14833 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES1 P23141 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
NR3C1 P04150 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLQ O75417 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36

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
SCHEMBL625320 0.84 HDAC4 (0.50) ALDH1A1KMT2AHTTL3MBTL1CES1
SCHEMBL15011536 0.82 TLR7 (0.51) PDE2ATLR7ALDH1A1GRM4MEN1
SCHEMBL624174 0.81 TLR7 (0.50) TLR7ALDH1A1MEN1KMT2ACES1
SCHEMBL14893703 0.81 TLR7 (0.44) TLR7ALDH1A1GRM4MEN1KMT2A
SCHEMBL624708 0.81 TLR7 (0.44) PDE2ATLR7ALDH1A1GRM4MEN1
SCHEMBL624803 0.80 HDAC4 (0.53) TLR7ALDH1A1GRM4MEN1KMT2A
SCHEMBL625121 0.79 TLR7 (0.41) PDE2ATLR7ALDH1A1GRM4MEN1
SCHEMBL14893933 0.79 L3MBTL1 (0.48) TLR7ALDH1A1GRM4MEN1KMT2A
SCHEMBL625389 0.77 HDAC1 (0.46) PDE2AGRM4NR3C1HSD17B14
SCHEMBL625024 0.77 GRM4 (0.54) PDE2ATLR7GRM4SLC22A12NR3C1

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 PDE2A 807/4885TLR7 1619/4885ALDH1A1 2560/4885

“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.