SCHEMBL627425

SCHEMBL627425

O=C(CC1(c2ccc(OC(F)(F)F)cc2)CCC1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.50
PDE2A O00408 5/20 0.44
SLC6A4 P31645 6/20 0.44
NR1I2 O75469 1/20 0.43
SLC6A3 Q01959 3/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
LGMN Q99538 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL625302 0.88 HDAC3 (0.42) TLR7PDE2ACTNNB1WNT3A
SCHEMBL627876 0.85 TLR7 (0.48) TLR7PDE2ASLC6A4SLC6A3EPHX2
SCHEMBL628363 0.83 HSD11B1 (0.52) SLC6A3MEN1KMT2ACTNNB1WNT3A
SCHEMBL628166 0.83 KDM4E (0.47) MEN1KMT2ACTNNB1WNT3A
SCHEMBL627096 0.81 TLR7 (0.45) TLR7SLC6A4SLC6A3EPHX2
SCHEMBL623939 0.80 TLR7 (0.53) TLR7PDE2ANR1I2MEN1KMT2A
SCHEMBL15011057 0.78 HSD11B1 (0.57) PDE2ASLC6A4SLC6A3EPHX2S1PR1
SCHEMBL625891 0.77 SLC6A4 (0.49) TLR7SLC6A4SLC6A3MEN1KMT2A
SCHEMBL626251 0.75 SLC6A4 (0.43) TLR7SLC6A4SLC6A3MEN1KMT2A
SCHEMBL625409 0.75 TRPV3 (0.49) SLC6A4SLC6A3

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 1619/4885PDE2A 807/4885SLC6A4 511/4885

“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.