SCHEMBL5097642

SCHEMBL5097642

CC(C)(C)OC(=O)N1C2C=C(c3cc4ccccc4s3)CC1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.43
ACKR3 P25106 1/20 0.40
SLC6A3 Q01959 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
WDR5 P61964 2/20 0.36
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
USP30 Q70CQ3 1/20 0.34
GPR119 Q8TDV5 2/20 0.33

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
SCHEMBL3034148 0.79 SLC6A2 (0.46) SLC6A3CHRM2CHRM1CHRM3HSD11B1
Hydrochloric Acid SCHEMBL6498978 0.79 SLC6A4 (0.52) SLC6A3CA12CA1CA9CHRM2
SCHEMBL3062717 0.77 SLC6A4 (0.53) SLC6A3CA12CA1CA9CHRM2
Cadaverine Tartrate SCHEMBL3542909 0.77 SLC6A3 (0.48) SLC6A3CHRM2CHRM1CHRM3CHRM4
SCHEMBL18043583 0.76 SLC6A2 (0.41) SLC6A3CHRM2CHRM1CHRM3WDR5
SCHEMBL3061088 0.75 CHRM2 (0.40) SLC6A3CA12CA1CA9CHRM2
SCHEMBL2071693 0.74 HSD11B1 (0.43) HSD11B1
SCHEMBL31412599 0.73 ACKR3 (0.48) MMP13ACKR3SLC6A3CA12CA1
SCHEMBL6491111 0.73 GPR119 (0.46) CHRM2CHRM1CHRM3GPR119
SCHEMBL12094592 0.73 GPR119 (0.46) CHRM2CHRM1CHRM3GPR119

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314870-B2 Compounds, their preparation and use NEUROSEARCH A/S (DK) 2008-01-01 US disclosed
EP-1406900-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2006-10-04 EP disclosed
US-20040180877-A1 Novel compounds, their preparation and use ANIONA APS (DK) 2004-09-16 US disclosed
EP-1406900-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2004-04-14 EP disclosed
WO-2003004493-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-01-16 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-20040180877-A1 Novel compounds, their preparation and use CHRNA6, CHRNA10, CHRNA5 MMP13 1197/4885ACKR3 269/4885SLC6A3 41/4885

“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.