SCHEMBL624229

SCHEMBL624229

O=C(c1ccccn1)C1(C(c2ccccc2)C(F)(F)F)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
OPRK1 P41145 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GSK3B P49841 1/20 0.37
MITF O75030 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL624860 0.80 LMNA (0.44) LMNAL3MBTL1NAPRTP4HTMSMN1; SMN2
SCHEMBL626472 0.76 TLR7 (0.46) L3MBTL1HTTEPHX2CES1KMT2A
SCHEMBL624617 0.76 TLR7 (0.46) L3MBTL1OPRK1CES2KMT2AALDH1A1
SCHEMBL627738 0.73 NPC1 (0.41) LMNAL3MBTL1NAPRTP4HTMKDM4E
SCHEMBL625107 0.73 NPC1 (0.39) LMNASMN1; SMN2KDM4EHTTCES2
SCHEMBL2913177 0.72 AKR1C1 (0.34) OPRK1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL624108 0.72 PTGS2 (0.40) LMNAL3MBTL1NAPRTP4HTMOPRK1
SCHEMBL625217 0.71 TLR7 (0.43) L3MBTL1OPRK1KDM4EHTTALDH1A1
SCHEMBL624819 0.71 GRM4 (0.41) LMNAL3MBTL1NAPRTP4HTMKDM4E
SCHEMBL625556 0.70 TRPV3 (0.43) OPRK1KDM4EALDH1A1OPRM1OPRD1

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 LMNA 2468/4885L3MBTL1 4284/4885NAPRT 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.