SCHEMBL22032147

SCHEMBL22032147

C=Cc1ccc2c(nnn2CCCO)c1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
GRM2 Q14416 3/20 0.38
SLC9A1 P19634 6/20 0.35
HCAR3 P49019 3/20 0.35

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
SCHEMBL22085849 0.96 GRM2 (0.37) CSNK2A2CSNK2BCSNK2A1CSNK2A3GRM2
SCHEMBL30159300 0.81 HCAR3 (0.39) CSNK2A2CSNK2BCSNK2A1CSNK2A3GRM2
SCHEMBL22032162 0.79 GRM2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3GRM2
SCHEMBL28855453 0.78 CCNC (0.39) GRM2HCAR3
SCHEMBL29901087 0.78 CCNC (0.39) GRM2HCAR3
SCHEMBL22085615 0.75 RAB9A (0.35) HCAR3
SCHEMBL24296919 0.75 GRM2 (0.49) CSNK2A2CSNK2BCSNK2A1CSNK2A3GRM2
SCHEMBL29901109 0.74 GRM2 (0.48) CSNK2A2CSNK2BCSNK2A1CSNK2A3GRM2
SCHEMBL28855359 0.74 GRM2 (0.48) CSNK2A2CSNK2BCSNK2A1CSNK2A3GRM2
SCHEMBL22084319 0.73 HCAR3 (0.35) HCAR3

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-11518763-B2 Macrocyclic compound and use thereof SCOHIA PHARMA, INC. (JP) 2022-12-06 US disclosed
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2022-04-21 US disclosed
EP-3890738-A1 MACROCYCLIC COMPOUND AND USE THEREOF Scohia Pharma, Inc. (JP) 2021-10-13 EP disclosed
WO-2020116660-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2020-06-11 WO disclosed
WO-2020116660-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2020-06-11 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 (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-11518763-B2 Macrocyclic compound and use thereof TFAM, KEAP1, FASTKD1 CSNK2A2 2957/4885CSNK2B 3291/4885CSNK2A1 2919/4885
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF TFAM, KEAP1, CKMT1A; CKMT1B CSNK2A2 2825/4885CSNK2B 3130/4885CSNK2A1 2822/4885

“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.