SCHEMBL19810366

SCHEMBL19810366

Cc1ccc2c(c1)C(O)C(C)OC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
ACHE P22303 1/20 0.34
KMT2A Q03164 2/20 0.34
TRPM5 Q9NZQ8 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR2C P28335 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL27469941 0.86 HTR1A (0.38) HTR1AACHEKMT2ATRPM5SLC6A2
SCHEMBL19827913 0.82 HTR2C (0.37) ACHETRPM5DRD2DRD1SLC6A2
SCHEMBL19835604 0.82 HTR2C (0.37) ACHETRPM5DRD2DRD1SLC6A2
SCHEMBL18643709 0.82 HTR2C (0.37) ACHETRPM5DRD2DRD1SLC6A2
SCHEMBL19827763 0.79 ACHE (0.34) HTR1AACHETRPM5SLC6A2SLC6A4
SCHEMBL19835904 0.79 ACHE (0.34) HTR1AACHETRPM5SLC6A2SLC6A4
SCHEMBL19829950 0.79 ACHE (0.34) HTR1AACHETRPM5SLC6A2SLC6A4
SCHEMBL19828061 0.79 ACHE (0.34) HTR1AACHETRPM5SLC6A2SLC6A4
SCHEMBL19829947 0.79 ACHE (0.34) HTR1AACHETRPM5SLC6A2SLC6A4
SCHEMBL19827831 0.79 ACHE (0.34) HTR1AACHETRPM5SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11077090-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (MA) 2021-08-03 US disclosed
US-11077090-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (MA) 2021-08-03 US disclosed
EP-3490607-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF Sunovion Pharmaceuticals Inc. (US) 2019-06-05 EP disclosed
WO-2018023070-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 WO disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 US disclosed
WO-2018023070-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 WO disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 US disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 US 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 (2 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-11077090-B2 Compounds and compositions and uses thereof ACHE, CHAT, MAOB HTR1A 176/4885ACHE 1/4885KMT2A 2978/4885
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ACHE, CHAT, MAOB HTR1A 176/4885ACHE 1/4885KMT2A 2978/4885

“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.