SCHEMBL628363

SCHEMBL628363

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
CACNA1G O43497 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
RAB9A P51151 3/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GRM4 Q14833 1/20 0.41
P2RX7 Q99572 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.40
AGTR1 P30556 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL628166 0.89 KDM4E (0.47) HSD11B1MEN1KMT2ACTNNB1WNT3A
SCHEMBL627096 0.87 TLR7 (0.45) HSD11B1RAB9APTGS1PTGS2SLC6A3
SCHEMBL627876 0.86 TLR7 (0.48) MEN1KMT2ACTNNB1WNT3AGRM4
SCHEMBL626251 0.86 SLC6A4 (0.43) HSD11B1MEN1KMT2ACTNNB1WNT3A
SCHEMBL627425 0.83 TLR7 (0.50) MEN1KMT2ACTNNB1WNT3ASLC6A3
SCHEMBL625409 0.81 TRPV3 (0.49) GRM4SLC6A3
SCHEMBL15011323 0.79 GRM4 (0.47) RAB9AGRM4SLC6A3NPC1AGTR1
SCHEMBL625891 0.78 SLC6A4 (0.49) MEN1KMT2ACTNNB1WNT3ASLC6A3
SCHEMBL625186 0.77 P2RX7 (0.46) HSD11B1MEN1KMT2ARAB9APTGS1
SCHEMBL625302 0.76 HDAC3 (0.42) CTNNB1WNT3ARAB9AGRM4ALDH1A1

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 HSD11B1 2616/4885MEN1 4188/4885KMT2A 4568/4885

“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.