Sugi Predict

Sugi Predict / Compounds / SCHEMBL16601372

SCHEMBL16601372

SCHEMBL16601372

O=C(OCc1ccccc1)N1C[C@@H]2C[C@@](O)(c3cccnc3F)C[C@@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 11/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 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
SCHEMBL16601375 1.00 GRIN2B (0.53) GRIN2BSMN1; SMN2NPC1RAB9AGRM5
SCHEMBL16601377 1.00 GRIN2B (0.53) GRIN2BSMN1; SMN2NPC1RAB9AGRM5
SCHEMBL20853636 1.00 GRIN2B (0.53) GRIN2BSMN1; SMN2NPC1RAB9AGRM5
SCHEMBL8315488 0.84 GRIN2B (0.50) GRIN2BSMN1; SMN2NPC1RAB9AGRM5
SCHEMBL16600902 0.81 GRIN2B (0.60) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16608199 0.81 GRIN2B (0.60) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16608356 0.80 GRIN2B (0.55) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16601463 0.80 GRIN2B (0.55) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16600829 0.77 GRIN2B (0.62) GRIN2BSMN1; SMN2NPC1RAB9A
SCHEMBL16600826 0.77 GRIN2B (0.62) GRIN2BSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B NOVARTIS AG (CH) 2024-12-10 — — US disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 — — US disclosed
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC (US) 2021-09-14 — — US disclosed
EP-3461827-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2019-04-03 — — EP disclosed
US-20180325868-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2018-11-15 — — US disclosed
EP-3036221-B1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS INC (US) 2018-11-07 — — EP disclosed
US-10052306-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC. (US) 2018-08-21 — — US disclosed
US-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B LUC THERAPEUTICS, INC. 2017-03-16 — — US disclosed
US-9540324-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B LUC THERAPEUTICS, INC. (US) 2017-01-10 — — US disclosed
EP-3036221-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B Luc Therapeutics, Inc. (US) 2016-06-29 — — EP disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 — — US disclosed
WO-2015048507-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 — — 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 (7 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-10052306-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885SMN1; SMN2 1377/4885NPC1 710/4885
US-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885SMN1; SMN2 1377/4885NPC1 710/4885
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885SMN1; SMN2 1377/4885NPC1 710/4885
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885SMN1; SMN2 1377/4885NPC1 710/4885
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885SMN1; SMN2 1377/4885NPC1 710/4885
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885SMN1; SMN2 1377/4885NPC1 710/4885
US-20180325868-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885SMN1; SMN2 1377/4885NPC1 710/4885

“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.