SCHEMBL625389

SCHEMBL625389

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
GRM4 Q14833 2/20 0.46
PDE2A O00408 8/20 0.45
NR3C1 P04150 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.37
HSD17B14 Q9BPX1 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
SCHEMBL625024 0.91 GRM4 (0.54) HDAC1GRM4PDE2ANR3C1CTNNB1
SCHEMBL626126 0.87 HSD17B14 (0.43) HDAC1GRM4NR3C1HDAC3HDAC2
SCHEMBL14893822 0.82 TLR7 (0.40) GRM4CTNNB1WNT3A
SCHEMBL15011536 0.82 TLR7 (0.51) GRM4PDE2ANR3C1
SCHEMBL624174 0.81 TLR7 (0.50) HDAC1NR3C1HDAC3HDAC2HDAC6
SCHEMBL624708 0.81 TLR7 (0.44) GRM4PDE2ACTNNB1WNT3A
SCHEMBL624803 0.80 HDAC4 (0.53) HDAC1GRM4HDAC3HDAC2HDAC6
SCHEMBL625186 0.80 P2RX7 (0.46) NR3C1
SCHEMBL15011470 0.79 P2RX7 (0.50) HDAC1HDAC3HDAC2HDAC6
SCHEMBL625121 0.79 TLR7 (0.41) GRM4PDE2ANR3C1CTNNB1WNT3A

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 HDAC1 995/4885GRM4 242/4885PDE2A 807/4885

“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.