SCHEMBL626254

SCHEMBL626254

O=C(c1ccccn1)C1(c2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.48
EPHX2 P34913 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
GRM4 Q14833 2/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 1/20 0.39
P2RX7 Q99572 1/20 0.39
NR3C1 P04150 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE2A O00408 2/20 0.38

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
SCHEMBL15011536 0.89 TLR7 (0.51) TLR7EPHX2TP53THRBALDH1A1
SCHEMBL624842 0.86 KMT2A (0.41) ALDH1A1KMT2AL3MBTL1MAPTCES1
SCHEMBL625937 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AHTTL3MBTL1MAPT
SCHEMBL625343 0.85 TLR7 (0.50) TLR7EPHX2ALDH1A1KMT2AL3MBTL1
SCHEMBL625335 0.84 MAP4K4 (0.45) TLR7ALDH1A1KMT2AMAPTCES1
SCHEMBL14894471 0.83 TLR7 (0.46) TLR7EPHX2THRBALDH1A1KMT2A
SCHEMBL14894578 0.82 TLR7 (0.50) TLR7EPHX2THRBALDH1A1KMT2A
SCHEMBL626830 0.81 HSD17B14 (0.40) ALDH1A1KMT2AL3MBTL1MAPTGRM4
SCHEMBL625821 0.78 GRM4 (0.47) ALDH1A1KMT2AMAPTGRM4MEN1
SCHEMBL625925 0.78 HDAC3 (0.45) TLR7ALDH1A1KMT2AMAPTGRM4

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 1619/4885EPHX2 2519/4885TP53 3854/4885

“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.