SCHEMBL625335

SCHEMBL625335

O=C(c1ccccn1)C1(c2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD11B1 P28845 1/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
P2RX7 Q99572 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL8028296 0.90 HSD11B1 (0.51) TLR7ALDH1A1HSD11B1PTGS1PTGS2
SCHEMBL625937 0.89 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKMT2ANPC1
SCHEMBL624842 0.87 KMT2A (0.41) ALDH1A1PTGS1PTGS2P2RX7LMNA
SCHEMBL625821 0.86 GRM4 (0.47) ALDH1A1LMNAMAPTKMT2ANPC1
SCHEMBL626254 0.84 TLR7 (0.48) TLR7ALDH1A1P2RX7MAPTKMT2A
SCHEMBL626830 0.84 HSD17B14 (0.40) ALDH1A1LMNAMAPTKMT2ANPC1
SCHEMBL625343 0.81 TLR7 (0.50) TLR7ALDH1A1MAPTKMT2ANPC1
SCHEMBL625925 0.79 HDAC3 (0.45) TLR7ALDH1A1P2RX7LMNAMAPT
SCHEMBL14893811 0.77 GRM4 (0.39) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL14957234 0.76 GRM4 (0.52) ALDH1A1LMNAMAPTKMT2ANPC1

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 MAP4K4 1516/4885TLR7 1619/4885ALDH1A1 2560/4885

“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.