SCHEMBL16996320

SCHEMBL16996320

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H]2C[C@](O)(Cc3ccccc3)[C@H]2C1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 15/20 0.80
▸ MAPT P10636 1/20 0.51
▸ CDK1 P06493 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ BRAF P15056 1/20 0.50
▸ FGFR2 P21802 1/20 0.50
▸ FGFR4 P22455 1/20 0.50
▸ FGFR3 P22607 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ AXL P30530 1/20 0.50
▸ CDK5 Q00535 1/20 0.50
▸ PTK2B Q14289 1/20 0.50
▸ FAAH O00519 1/20 0.49
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ UBE2M P61081 1/20 0.47
▸ DCUN1D1 Q96GG9 1/20 0.47

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
SCHEMBL16600837 0.89 GRIN2B (1.00) GRIN2BMAPTCDK1IGF1RFGFR1
SCHEMBL16600843 0.89 GRIN2B (1.00) GRIN2BMAPTCDK1IGF1RFGFR1
SCHEMBL16600840 0.89 GRIN2B (1.00) GRIN2BMAPTCDK1IGF1RFGFR1
SCHEMBL16608243 0.83 GRIN2B (0.72) GRIN2B
SCHEMBL16608142 0.82 GRIN2B (0.83) GRIN2B
SCHEMBL16601090 0.82 GRIN2B (0.83) GRIN2B
SCHEMBL30076238 0.82 GRIN2B (0.83) GRIN2B
SCHEMBL16995956 0.78 GRIN2B (0.67) GRIN2BFAAH
SCHEMBL16608353 0.77 GRIN2B (1.00) GRIN2BMAPTKCNK3KCNK9
SCHEMBL16600985 0.77 GRIN2B (1.00) GRIN2BMAPTKCNK3KCNK9

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-9540324-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B LUC THERAPEUTICS, INC. (US) 2017-01-10 — — US disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 — — 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-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885MAPT 1173/4885CDK1 2599/4885

“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.

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