SCHEMBL21795283

SCHEMBL21795283

O=C1C(O)CCN1c1ccc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 4/20 0.41
NPSR1 Q6W5P4 1/20 0.38
CHRNA3 P32297 1/20 0.38
F10 P00742 1/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL7818940 0.86 SLC6A2 (0.54) HDAC6HDAC1HDAC8SLC6A2SLC6A4
SCHEMBL18768607 0.84 SLC6A2 (0.47) RAD51HDAC6HDAC1HDAC8SLC6A2
SCHEMBL16874867 0.84 CCR1 (0.42) CCNA2CDK2CCNA1MCHR1
SCHEMBL18740427 0.84 RAD51 (0.41) RAD51HDAC6HDAC1HDAC8SLC6A2
SCHEMBL892162 0.83 PTPN1 (0.44) RAD51HDAC6HDAC1HDAC8SLC6A2
SCHEMBL8606629 0.81 MCHR1 (0.41) HDAC6HDAC1HDAC8CCNA2CDK2
SCHEMBL7819893 0.80 SLC6A2 (0.50) HDAC6HDAC1HDAC8SLC6A2SLC6A4
SCHEMBL16422794 0.79 FPR2 (0.48) CCNA2CDK2CCNA1
SCHEMBL21142409 0.79 MCHR1 (0.42) SLC6A2SLC6A4MCHR1
SCHEMBL18740383 0.79 MCHR1 (0.42) SLC6A2SLC6A4MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961229-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-30 US disclosed
US-20200071304-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-03-05 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-20200071304-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A RAD51 3463/4885HDAC6 475/4885HDAC1 545/4885
US-10961229-B2 Selective NR2B antagonists GRIN2B, GRIN2A, GRIN3A RAD51 3463/4885HDAC6 475/4885HDAC1 545/4885

“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.