SCHEMBL624423

SCHEMBL624423

Cc1ccccc1C(C)C1(C(=O)c2ccccn2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
FPR2 P25090 1/20 0.40
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSA P10619 1/20 0.37
GSK3B P49841 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL624819 0.86 GRM4 (0.41) L3MBTL1LMNANAPRTP4HTMCTNNB1
SCHEMBL624992 0.86 GRM4 (0.41) L3MBTL1LMNANAPRTP4HTMFPR2
SCHEMBL624860 0.83 LMNA (0.44) L3MBTL1LMNANAPRTP4HTMFPR2
SCHEMBL624108 0.82 PTGS2 (0.40) L3MBTL1LMNANAPRTP4HTMFPR2
SCHEMBL28806295 0.79 HSD11B1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL625217 0.79 TLR7 (0.43) L3MBTL1FPR2GRM5ALDH1A1NPC1
SCHEMBL627738 0.79 NPC1 (0.41) L3MBTL1LMNANAPRTP4HTMFPR2
SCHEMBL625107 0.76 NPC1 (0.39) LMNAFPR2GRM5ALDH1A1NPC1
SCHEMBL626472 0.76 TLR7 (0.46) L3MBTL1ALDH1A1CES1HTTKMT2A
SCHEMBL625366 0.74 HDAC4 (0.50) L3MBTL1LMNANAPRTP4HTMCTNNB1

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 L3MBTL1 4284/4885LMNA 2468/4885NAPRT 3299/4885

“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.