SCHEMBL626256

SCHEMBL626256

O=C(c1ccccn1)C1(c2ccccc2OC(F)(F)F)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.43
PKLR P30613 1/20 0.37
BDKRB1 P46663 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
EPHX2 P34913 2/20 0.36
GRM4 Q14833 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
HCRTR1 O43613 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC6A9 P48067 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
HTT P42858 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL623939 0.81 TLR7 (0.53) TLR7L3MBTL1ALDH1A1HTT
SCHEMBL624803 0.81 HDAC4 (0.53) TLR7CES2CES1GRM4L3MBTL1
SCHEMBL27907663 0.80 HDAC4 (0.40) L3MBTL1ALDH1A1SLC6A9RXRARXRB
SCHEMBL625382 0.79 RAB9A (0.46) TLR7PKLRGRM4ALDH1A1HTT
SCHEMBL625320 0.79 HDAC4 (0.50) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL19469649 0.78 AKR1C1 (0.46) L3MBTL1ALDH1A1SLC6A9RXRARXRB
SCHEMBL18742375 0.77 BRS3 (0.40) EPHX2L3MBTL1LMNAALDH1A1SLC6A9
SCHEMBL625366 0.76 HDAC4 (0.50) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL625186 0.75 P2RX7 (0.46) TLR7CES2CES1L3MBTL1LMNA
SCHEMBL626241 0.75 PDE2A (0.45) TLR7CES1GRM4L3MBTL1ALDH1A1

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 1619/4885PKLR 1760/4885BDKRB1 72/4885

“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.