SCHEMBL627096

SCHEMBL627096

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.45
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
AGTR1 P30556 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GRM5 P41594 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
KDR P35968 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
OPRK1 P41145 2/20 0.39
MITF O75030 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) HSD11B1KDM4EL3MBTL1GRM5LMNA
SCHEMBL628363 0.87 HSD11B1 (0.52) HSD11B1PTGS1PTGS2NPC1RAB9A
SCHEMBL625409 0.86 TRPV3 (0.49) SLC6A4SLC6A3
SCHEMBL15011323 0.86 GRM4 (0.47) NPC1RAB9AAGTR1L3MBTL1GRM5
SCHEMBL627876 0.84 TLR7 (0.48) TLR7L3MBTL1SLC6A4SLC6A3HTT
SCHEMBL627425 0.81 TLR7 (0.50) TLR7SLC6A4SLC6A3EPHX2
SCHEMBL626251 0.79 SLC6A4 (0.43) TLR7HSD11B1NPC1RAB9AL3MBTL1
SCHEMBL625891 0.76 SLC6A4 (0.49) TLR7L3MBTL1SLC6A4SLC6A3LMNA
SCHEMBL624643 0.74 HSD11B1 (0.63) HSD11B1L3MBTL1SLC6A4SLC6A3TSHR
SCHEMBL27907695 0.73 TRPV3 (0.44) HSD11B1KDM4ENPC1RAB9AL3MBTL1

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 1619/4885HSD11B1 2616/4885KDM4E 3537/4885

“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.