SCHEMBL3199157

SCHEMBL3199157

C1=CC2CC1C1CN(c3ccccn3)CC21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.47
PLD1 Q13393 1/20 0.46
GRM1 Q13255 6/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL4635555 0.79 DPP4 (0.49) GRIN2BPLD1GRM1CYP3A4CYP2D6
SCHEMBL32690594 0.78 GRM1 (0.57) GRIN2BPLD1GRM1CYP3A4CYP2D6
SCHEMBL30556650 0.78 GRIN2B (0.59) GRIN2BPLD1GRM1CYP3A4CYP2D6
SCHEMBL29991351 0.75 GRIN2B (0.49) GRIN2BPLD1GRM1CYP3A4CYP2D6
SCHEMBL23875353 0.74 PLD1 (0.52) GRIN2BPLD1GRM1KDM4EALDH1A1
SCHEMBL2294733 0.74 GRIN2B (0.55) GRIN2BPLD1GRM1CYP3A4CYP2D6
SCHEMBL30937159 0.74 GRIN2B (0.55) GRIN2BPLD1GRM1CYP3A4CYP2D6
SCHEMBL16059501 0.74 DPP4 (0.58) GRIN2BPLD1GRM1CYP3A4CYP2D6
SCHEMBL2002068 0.74 PLD1 (0.52) GRIN2BPLD1GRM1CYP3A4CYP2D6
SCHEMBL16059500 0.74 DPP4 (0.58) GRIN2BPLD1GRM1CYP3A4CYP2D6

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-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 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 (1 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-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 GRIN2B 1180/4885PLD1 4424/4885GRM1 302/4885

“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.