SCHEMBL625320

SCHEMBL625320

O=C(c1ccccn1)C1(c2ccccc2F)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.50
P2RX7 Q99572 1/20 0.47
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B14 Q9BPX1 1/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
AGTR1 P30556 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
ELOVL1 Q9BW60 4/20 0.39
FPR2 P25090 1/20 0.38

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
SCHEMBL626241 0.84 PDE2A (0.45) CES1L3MBTL1ALDH1A1HSD17B14KMT2A
SCHEMBL625366 0.82 HDAC4 (0.50) HDAC4CTNNB1WNT3ACES2CES1
SCHEMBL624803 0.82 HDAC4 (0.53) HDAC4P2RX7CTNNB1WNT3ACES2
SCHEMBL625186 0.81 P2RX7 (0.46) P2RX7CES2CES1L3MBTL1LMNA
SCHEMBL626126 0.81 HSD17B14 (0.43) CTNNB1WNT3ACES2CES1L3MBTL1
SCHEMBL625206 0.80 HSD11B1 (0.49) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL626256 0.79 TLR7 (0.43) CTNNB1WNT3ACES2CES1L3MBTL1
SCHEMBL15011470 0.78 P2RX7 (0.50) P2RX7CES2CES1LMNAALDH1A1
SCHEMBL626043 0.78 LMNA (0.47) HDAC4CES2CES1L3MBTL1LMNA
SCHEMBL624819 0.76 GRM4 (0.41) HDAC4CTNNB1WNT3ACES2CES1

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 HDAC4 450/4885P2RX7 33/4885CTNNB1 1897/4885

“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.