SCHEMBL5598527

SCHEMBL5598527

[NH]CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.52
GRIN3B O60391 6/20 0.52
GRIN1 Q05586 6/20 0.52
GRIN2A Q12879 6/20 0.52
GRIN2B Q13224 6/20 0.52
GRIN2C Q14957 6/20 0.52
GRIN3A Q8TCU5 6/20 0.52
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
NFKB1 P19838 1/20 0.45
STAT6 P42226 1/20 0.45
SLC47A1 Q96FL8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7374061 0.77 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7259186 0.73 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11697939 0.73 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL140991 0.69 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL863348 0.69 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17348246 0.69 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15628114 0.69 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL236360 0.69 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10957944 0.69 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4863562 0.69 GRIN2D (0.52) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3941885-A N-ADAMANTANYL AMINO ALKANOIC ACID SCHERING CORPORATION (US) 1976-03-02 US claimed
EP-1807070-A1 COMBINATIONS OF SUBSTITUTED AZETIDINONES AND CB1 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-18 EP disclosed
WO-2006039334-A1 COMBINATIONS OF SUBSTITUTED AZETIDONONES AND CB1 ANTAGONISTS SCHERING CORPORATION (US) 2006-04-13 WO disclosed
US-20060069080-A1 Combinations of substituted azetidinones and CB1 antagonists SCHERING CORPORATION 2006-03-30 US disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
US-5624941-A Pyrazole derivatives, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1997-04-29 US disclosed
EP-0576357-B1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-03-05 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed
EP-0576357-A1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP 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-20060069080-A1 Combinations of substituted azetidinones and CB1 antagonists CNR1, CNR2, GPR119 GRIN2D 1572/4885GRIN3B 990/4885GRIN1 926/4885
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR GRIN2D 3281/4885GRIN3B 2821/4885GRIN1 2394/4885

“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.