SCHEMBL626047

SCHEMBL626047

OC(CC1(c2ccc(OC(F)(F)F)cc2)CCC1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.56
SLC6A4 P31645 10/20 0.41
PDE2A O00408 2/20 0.40
SLC6A3 Q01959 7/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
S1PR1 P21453 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
SLC6A2 P23975 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
EPHX2 P34913 1/20 0.36
LGMN Q99538 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL625906 0.88 NR1I2 (0.46) NR1I2TRPV3
SCHEMBL14893695 0.87 NR1I2 (0.54) NR1I2SLC6A4PDE2ASLC6A3MMP2
SCHEMBL625411 0.85 SLC6A3 (0.44) NR1I2SLC6A4PDE2ASLC6A3TRPV3
SCHEMBL624588 0.83 TRPV3 (0.43) NR1I2SLC6A4SLC6A3TRPV3SLC6A2
SCHEMBL624608 0.83 KDM4E (0.47) SLC6A4SLC6A3S1PR1TRPV3SLC6A2
SCHEMBL625378 0.81 TRPV3 (0.49) SLC6A4SLC6A3TRPV3SLC6A2
SCHEMBL623952 0.80 NR1I2 (0.77) NR1I2SLC6A4PDE2ASLC6A3MMP2
SCHEMBL14893424 0.80 NR1I2 (0.77) NR1I2SLC6A4PDE2ASLC6A3MMP2
SCHEMBL627064 0.77 SLC6A4 (0.49) SLC6A4SLC6A3S1PR1TRPV3SLC6A2
SCHEMBL14893488 0.75 NR1I2 (0.44) NR1I2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US claimed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN claimed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-8772499-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-20140080803-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2014-03-20 US disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US 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 NR1I2 210/4885SLC6A4 467/4885PDE2A 698/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 219/4885SLC6A4 511/4885PDE2A 807/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 221/4885SLC6A4 498/4885PDE2A 765/4885

“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.