SCHEMBL626251

SCHEMBL626251

O=C(CC1(c2cccc(F)c2)CCC1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A2 P23975 1/20 0.43
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
P2RX7 Q99572 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HSD11B1 P28845 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
SCHEMBL628363 0.86 HSD11B1 (0.52) SLC6A3CTNNB1WNT3ANPC1RAB9A
SCHEMBL628166 0.86 KDM4E (0.47) CTNNB1WNT3AKMT2AP2RX7ALDH1A1
SCHEMBL15011323 0.85 GRM4 (0.47) SLC6A4SLC6A3SLC6A2NPC1RAB9A
SCHEMBL625891 0.85 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2CTNNB1WNT3A
SCHEMBL625302 0.82 HDAC3 (0.42) CTNNB1WNT3ARAB9ATLR7ALDH1A1
SCHEMBL625409 0.81 TRPV3 (0.49) SLC6A4SLC6A3SLC6A2NPSR1
SCHEMBL15011470 0.79 P2RX7 (0.50) NPC1RAB9AKMT2AP2RX7TLR7
SCHEMBL627096 0.79 TLR7 (0.45) SLC6A4SLC6A3NPC1RAB9ATLR7
SCHEMBL627876 0.78 TLR7 (0.48) SLC6A4SLC6A3SLC6A2CTNNB1WNT3A
SCHEMBL627858 0.77 HSD11B1 (0.60) SLC6A4SLC6A3SLC6A2KMT2AALDH1A1

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 SLC6A4 511/4885SLC6A3 717/4885SLC6A2 1774/4885

“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.