SCHEMBL625382

SCHEMBL625382

O=C(c1ccccn1)C1(c2cccc(OC(F)(F)F)c2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR7 Q9NYK1 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PDE2A O00408 3/20 0.40
GRM4 Q14833 2/20 0.40
SCN9A Q15858 1/20 0.40
PKLR P30613 1/20 0.38
SLC6A7 Q99884 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
GRM5 P41594 1/20 0.37
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.36
HSD11B1 P28845 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
SCHEMBL626486 0.90 ALDH1A1 (0.43) RAB9AALDH1A1TLR7HDAC3HDAC1
SCHEMBL623939 0.87 TLR7 (0.53) RAB9AALDH1A1TLR7PDE2ANPC1
SCHEMBL625713 0.85 ALDH1A1 (0.41) RAB9AALDH1A1GRM4NPC1PKM
SCHEMBL14894668 0.84 RAB9A (0.42) RAB9AALDH1A1TLR7HDAC3HDAC1
SCHEMBL624174 0.82 TLR7 (0.50) RAB9AALDH1A1TLR7HDAC3HDAC1
SCHEMBL625302 0.81 HDAC3 (0.42) RAB9AALDH1A1TLR7HDAC3HDAC1
SCHEMBL15011470 0.81 P2RX7 (0.50) RAB9AALDH1A1TLR7HDAC3HDAC1
SCHEMBL27907577 0.80 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6SCN9A
SCHEMBL19469650 0.79 AKR1C1 (0.50) HDAC3HDAC1HDAC2HDAC6SCN9A
SCHEMBL626256 0.79 TLR7 (0.43) ALDH1A1TLR7GRM4PKLRGRM5

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 RAB9A 1762/4885ALDH1A1 2560/4885TLR7 1619/4885

“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.