SCHEMBL623939

SCHEMBL623939

O=C(c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.53
PDE2A O00408 7/20 0.46
NR1I2 O75469 1/20 0.46
LGMN Q99538 2/20 0.41
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
DHODH Q02127 1/20 0.39
P2RY1 P47900 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P2RX7 Q99572 1/20 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
SCHEMBL625343 0.90 TLR7 (0.50) TLR7PDE2ANR1I2LGMNRAB9A
SCHEMBL625382 0.87 RAB9A (0.46) TLR7PDE2ANR1I2RAB9ANPC1
SCHEMBL14894001 0.87 NR1I2 (0.56) TLR7PDE2ANR1I2LGMNRAB9A
SCHEMBL15522936 0.84 TLR7 (0.49) TLR7PDE2ANR1I2RAB9AMEN1
SCHEMBL15011536 0.84 TLR7 (0.51) TLR7PDE2AMEN1KMT2AL3MBTL1
SCHEMBL625583 0.84 ALDH1A1 (0.44) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL14893956 0.83 TLR7 (0.48) TLR7PDE2ANR1I2LGMNRAB9A
SCHEMBL625186 0.82 P2RX7 (0.46) TLR7RAB9AMEN1KMT2ANPC1
SCHEMBL626256 0.81 TLR7 (0.43) TLR7L3MBTL1ALDH1A1HTT
SCHEMBL627425 0.80 TLR7 (0.50) TLR7PDE2ANR1I2LGMNMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-20140315940-A1 MORPHINAN COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 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
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO 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 (3 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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TLR7 1110/4885PDE2A 698/4885NR1I2 210/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TLR7 1619/4885PDE2A 807/4885NR1I2 219/4885
US-20140315940-A1 MORPHINAN COMPOUNDS OPRL1, OPRM1, OPRK1 TLR7 270/4885PDE2A 3827/4885NR1I2 108/4885

“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.