SCHEMBL625872

SCHEMBL625872

N#CC1(c2ccc(F)c(F)c2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
OPRM1 P35372 5/20 0.37
PIK3CD O00329 1/20 0.36
SLC6A2 P23975 2/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAP3K12 Q12852 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2200912 0.88 SLC6A4 (0.43) SLC6A4SLC6A3OPRM1SLC6A2NPC1
SCHEMBL333414 0.86 OPRM1 (0.35) OPRM1PIK3CDNPC1ALDH1A1LMNA
SCHEMBL1625785 0.86 OPRM1 (0.47) SLC6A4SLC6A3OPRM1SLC6A2LMNA
SCHEMBL16897522 0.86 OPRM1 (0.38) OPRM1PIK3CD
SCHEMBL625815 0.84 SLC6A4 (0.45) SLC6A4SLC6A3OPRM1SLC6A2NPC1
SCHEMBL433782 0.83 SLC6A4 (0.51) SLC6A4SLC6A3OPRM1SLC6A2NPC1
SCHEMBL625655 0.81 OPRM1 (0.40) OPRM1NPC1ALDH1A1LMNATP53
SCHEMBL31567064 0.80 SLC6A4 (0.38) SLC6A4SLC6A3OPRM1SLC6A2NPC1
SCHEMBL19212415 0.80 ALDH1A1 (0.42) ALDH1A1LMNARAB9A
SCHEMBL30783398 0.80 ALDH1A1 (0.42) ALDH1A1LMNARAB9A

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
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
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN SLC6A4 4113/4885SLC6A3 3829/4885OPRM1 3044/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN SLC6A4 4113/4885SLC6A3 3829/4885OPRM1 3044/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A4 511/4885SLC6A3 717/4885OPRM1 121/4885

“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.