SCHEMBL624617

SCHEMBL624617

CC(c1cccc(C(F)(F)F)c1)C1(C(=O)c2ccccn2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.46
BRAF P15056 1/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACP3 P15309 1/20 0.40
EPHX1 P07099 1/20 0.39
KCNN4 O15554 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CES2 O00748 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
SCHEMBL626472 0.88 TLR7 (0.46) TLR7ALDH1A1L3MBTL1ACP3MEN1
SCHEMBL625107 0.85 NPC1 (0.39) TLR7ALDH1A1KMT2ARAB9AHDAC5
SCHEMBL624860 0.84 LMNA (0.44) ALDH1A1L3MBTL1OPRM1OPRD1OPRK1
SCHEMBL27907588 0.81 EPHX1 (0.46) ACP3EPHX1SLC6A2SLC6A4OPRM1
SCHEMBL627738 0.79 NPC1 (0.41) TLR7ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL624108 0.78 PTGS2 (0.40) TLR7ALDH1A1L3MBTL1SLC6A4OPRK1
SCHEMBL625217 0.77 TLR7 (0.43) TLR7ALDH1A1L3MBTL1OPRK1RAB9A
SCHEMBL624174 0.76 TLR7 (0.50) TLR7BRAFALDH1A1SLC6A4MEN1
SCHEMBL624229 0.76 LMNA (0.41) TLR7ALDH1A1L3MBTL1OPRM1OPRD1
SCHEMBL626330 0.75 TRPV3 (0.48) ALDH1A1L3MBTL1ACP3KCNN4SLC6A2

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 1619/4885BRAF 3294/4885ALDH1A1 2560/4885

“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.