SCHEMBL22018389

SCHEMBL22018389

C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(O)CC[C@@H]3[C@H]1CC2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.60
GRIN2B Q13224 4/20 0.60
NR1I3 Q14994 1/20 0.54
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
AKR1B10 O60218 1/20 0.40
SHBG P04278 1/20 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
SCHEMBL133513 1.00 GRIN1 (0.60) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL13007746 1.00 GRIN1 (0.60) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL6812629 1.00 GRIN1 (0.60) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL30645499 0.83 GRIN1 (0.58) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL4834976 0.81 GRIN1 (0.56) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL3853829 0.81 GRIN1 (0.41) GRIN1GRIN2BNR1I3SHBG
SCHEMBL4833938 0.81 GRIN1 (0.56) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL26304098 0.81 GRIN1 (0.41) GRIN1GRIN2BNR1I3SHBG
SCHEMBL7353210 0.80 GRIN1 (0.55) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL374356 0.80 GRIN1 (0.55) GRIN1GRIN2BNR1I3CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241446-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2022-02-08 US disclosed
US-20200155576-A1 19-NOR C3, 3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2020-05-21 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 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-20200155576-A1 19-NOR C3, 3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF NR3C2, NR3C1, CYP11B1 GRIN1 125/4885GRIN2B 12/4885NR1I3 34/4885
US-11241446-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof NR3C2, NR3C1, CYP11B1 GRIN1 125/4885GRIN2B 12/4885NR1I3 34/4885

“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.