SCHEMBL10080461

SCHEMBL10080461

O=C(O)c1ccc2cc(C3CC3)c3ccccc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.59
GRIN2A Q12879 1/20 0.59
GRIN2C Q14957 1/20 0.59
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 4/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
HIPK2 Q9H2X6 1/20 0.40
PARP1 P09874 1/20 0.40
TTR P02766 1/20 0.40
CSNK2A1 P68400 1/20 0.39
KMO O15229 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL29898216 1.00 GRIN2D (0.59) GRIN2DGRIN2AGRIN2CPOLBCREBBP
SCHEMBL569630 0.88 HIPK2 (0.52) GRIN2DGRIN2AGRIN2CPOLBCREBBP
SCHEMBL7918213 0.78 PLA2G2D (0.50) GRIN2DGRIN2AGRIN2CCREBBPKDM4E
SCHEMBL10081747 0.76 GRIN2D (0.68) GRIN2DGRIN2AGRIN2CKDM4EPTPN1
SCHEMBL16502635 0.75 PLA2G2D (0.45) GRIN2DGRIN2AGRIN2CCREBBPPTPN1
SCHEMBL10484184 0.75 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CKDM4EPTPN1
SCHEMBL31742339 0.75 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CKDM4EPTPN1
SCHEMBL15439625 0.75 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CKDM4EPTPN1
SCHEMBL10148398 0.75 PTPN1 (0.58) GRIN2DGRIN2AGRIN2CCREBBPPTPN1
SCHEMBL2469905 0.75 GRIN2D (0.66) GRIN2DGRIN2AGRIN2CKDM4EPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
WO-2016057713-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-04-14 WO disclosed
WO-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 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-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 GRIN2D 16/4885GRIN2A 2/4885GRIN2C 7/4885
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 GRIN2D 16/4885GRIN2A 2/4885GRIN2C 7/4885

“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.