SCHEMBL625024

SCHEMBL625024

O=C(c1ccccn1)C1(c2ccc(F)c(C(F)(F)F)c2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.54
NR3C1 P04150 2/20 0.43
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
VNN1 O95497 1/20 0.39
HSD17B14 Q9BPX1 1/20 0.39
KCNN4 O15554 2/20 0.37
HDAC1 Q13547 1/20 0.37
CETP P11597 1/20 0.37
PDE2A O00408 1/20 0.37
HDAC4 P56524 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KMO O15229 1/20 0.36
IDO1 P14902 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL625389 0.91 HDAC1 (0.46) GRM4NR3C1CTNNB1WNT3AHSD17B14
SCHEMBL626126 0.87 HSD17B14 (0.43) GRM4NR3C1CTNNB1WNT3AHSD17B14
SCHEMBL14893822 0.82 TLR7 (0.40) GRM4CTNNB1WNT3AHDAC4TLR7
SCHEMBL15011536 0.82 TLR7 (0.51) GRM4NR3C1PDE2ATLR7
SCHEMBL624174 0.81 TLR7 (0.50) NR3C1VNN1HDAC1SLC22A12TLR7
SCHEMBL624708 0.81 TLR7 (0.44) GRM4CTNNB1WNT3APDE2ATDP1
SCHEMBL624803 0.80 HDAC4 (0.53) GRM4CTNNB1WNT3AHDAC1HDAC4
SCHEMBL625186 0.80 P2RX7 (0.46) NR3C1IDO1GAATLR7
SCHEMBL15011470 0.79 P2RX7 (0.50) HDAC1IDO1GAATDP1TLR7
SCHEMBL625121 0.79 TLR7 (0.41) GRM4NR3C1CTNNB1WNT3APDE2A

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 GRM4 242/4885NR3C1 469/4885CTNNB1 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.