SCHEMBL625343

SCHEMBL625343

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.50
NR1I2 O75469 1/20 0.43
PDE2A O00408 4/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
LGMN Q99538 2/20 0.39
EPHX2 P34913 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CFTR P13569 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
DHODH Q02127 1/20 0.37
MAPT P10636 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
SCHEMBL623939 0.90 TLR7 (0.53) TLR7NR1I2PDE2ALGMNKMT2A
SCHEMBL626486 0.88 ALDH1A1 (0.43) TLR7RAB9AALDH1A1
SCHEMBL626254 0.85 TLR7 (0.48) TLR7PDE2AEPHX2KMT2AMEN1
SCHEMBL14893956 0.84 TLR7 (0.48) TLR7NR1I2PDE2ALGMNEPHX2
SCHEMBL14894001 0.84 NR1I2 (0.56) TLR7NR1I2PDE2ALGMNKMT2A
SCHEMBL624842 0.83 KMT2A (0.41) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL625937 0.83 ALDH1A1 (0.49) KMT2ANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL15522936 0.81 TLR7 (0.49) TLR7NR1I2PDE2AKMT2AMEN1
SCHEMBL625335 0.81 MAP4K4 (0.45) TLR7KMT2ANPC1RAB9AALDH1A1
SCHEMBL626830 0.78 HSD17B14 (0.40) KMT2ANPC1RAB9AL3MBTL1ALDH1A1

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 1619/4885NR1I2 219/4885PDE2A 807/4885

“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.