SCHEMBL18629705

SCHEMBL18629705

Oc1ccc(CCN2CCC(O)(Cc3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.64
GRIN3B O60391 7/20 0.64
GRIN1 Q05586 7/20 0.64
GRIN2A Q12879 7/20 0.64
GRIN2B Q13224 7/20 0.64
GRIN2C Q14957 7/20 0.64
GRIN3A Q8TCU5 7/20 0.64
ADRA1A P35348 6/20 0.64
ADRA1D P25100 4/20 0.64
ADRA1B P35368 4/20 0.64
MAPT P10636 1/20 0.55
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL7245996 0.93 SLC6A3 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27442941 0.92 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7248307 0.91 SLC6A3 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7247628 0.84 SIGMAR1 (0.68)
Hydrochloric Acid SCHEMBL7246143 0.82 SIGMAR1 (0.67)
SCHEMBL6207318 0.81 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5175622 0.81 SIGMAR1 (0.69) OPRL1
SCHEMBL8084478 0.81 SIGMAR1 (0.62) OPRM1
SCHEMBL7405938 0.81 DRD2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13934629 0.80 OPRL1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC (US) 2021-09-14 US disclosed
US-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B LUC THERAPEUTICS, INC. 2017-03-16 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-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2D 9/4885GRIN3B 5/4885GRIN1 6/4885
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN2D 9/4885GRIN3B 5/4885GRIN1 6/4885

“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.