SCHEMBL4597770

SCHEMBL4597770

COc1c(Cl)cccc1C1(C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
OPRM1 P35372 2/20 0.33
ADRA1A P35348 3/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1B P35368 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL1261041 0.81 KMT2A (0.38) KMT2ASLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL20847882 0.78 HDAC4 (0.45) SLC6A4SLC6A3OPRM1ADRA1AADRA1D
SCHEMBL31459475 0.77 ADRA1A (0.41) SLC6A4OPRM1ADRA1AADRA1DADRA1B
SCHEMBL4555845 0.77 ADRA1A (0.41) SLC6A4OPRM1ADRA1AADRA1DADRA1B
SCHEMBL18190501 0.75 OPRM1 (0.33) OPRM1ADRA1AADRA1DADRA1B
SCHEMBL3533872 0.74 ALDH1A1 (0.37) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL4648771 0.73 OPRM1 (0.38) KMT2ASLC6A4SLC6A3OPRM1KDM4E
SCHEMBL2048048 0.73 SIGMAR1 (0.47) KMT2AOPRM1ADRA1AADRA1DADRA1B
SCHEMBL20847876 0.72 HDAC4 (0.47) SLC6A4SLC6A3OPRM1ADRA1AADRA1D
SCHEMBL18742698 0.71 BDKRB1 (0.39) SLC6A4SLC6A3OPRM1KDM4EALDH1A1

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
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 EP disclosed
EP-1786823-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-23 EP disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 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-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 KMT2A 4743/4885SLC6A4 4583/4885SLC6A3 4754/4885

“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.