SCHEMBL5809837

SCHEMBL5809837

NC12CC3CC(C1)CC(CC(=O)O)(C3)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
GRIN2D O15399 2/20 0.56
GRIN3B O60391 2/20 0.56
GRIN1 Q05586 2/20 0.56
GRIN2A Q12879 2/20 0.56
GRIN2B Q13224 2/20 0.56
GRIN2C Q14957 2/20 0.56
GRIN3A Q8TCU5 2/20 0.56
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.46
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13589979 0.86 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL1058665 0.86 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL14433714 0.86 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL14493662 0.86 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL29838840 0.86 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL5811871 0.81 POLB (0.69) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6865696 0.81 POLB (0.68) POLBALDH1A1TSHRLMNAGAA
SCHEMBL1788313 0.79 POLB (0.66) POLBALDH1A1TSHRLMNAGAA
SCHEMBL23406968 0.78 POLB (0.64) POLBALDH1A1TSHRLMNAGAA
SCHEMBL503339 0.78 POLB (0.64) POLBALDH1A1TSHRLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714212-B2 Chemical compounds derived from normemantine and use of same in the medical field M2I DEVELOPMENT (FR) 2017-07-25 US disclosed
US-9714212-B2 Chemical compounds derived from normemantine and use of same in the medical field M2I DEVELOPMENT (FR) 2017-07-25 US disclosed
EP-2599774-B1 CONDENSED PYRIDINE COMPOUNDS AS CB2 CANNABINOID RECEPTOR LIGANDS ASTELLAS PHARMA INC (JP) 2016-07-06 EP disclosed
US-20160107982-A1 NOVEL CHEMICAL COMPOUNDS DERIVED FROM NORMEMANTINE AND USE OF SAME IN THE MEDICAL FIELD M2I DEVELOPMENT (FR) 2016-04-21 US disclosed
US-20160107982-A1 NOVEL CHEMICAL COMPOUNDS DERIVED FROM NORMEMANTINE AND USE OF SAME IN THE MEDICAL FIELD M2I DEVELOPMENT (FR) 2016-04-21 US disclosed
US-8791106-B2 Fused ring pyridine compound ASTELLAS PHARMA INC. (JP) 2014-07-29 US disclosed
US-20130143874-A1 FUSED RING PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 US disclosed
EP-2599774-A1 CONDENSED RING PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2013-06-05 EP disclosed
WO-2006097774-A1 SYNTHETIC PEPTIDES CONTAINING UNNATURAL ADAMANTANE-RELATED AMINO ACIDS FOR USE AS ANTITUMOUR DRUGS RUDJER BOSKOVIC INSTITUTE (HR) 2006-09-21 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 (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-20130143874-A1 FUSED RING PYRIDINE COMPOUND CNR2, CNR1, TRPV1 POLB 4540/4885GRIN2D 1105/4885GRIN3B 1132/4885
US-20160107982-A1 NOVEL CHEMICAL COMPOUNDS DERIVED FROM NORMEMANTINE AND USE OF SAME IN THE MEDICAL FIELD GRIN1, GRM1, GRIN3A POLB 4464/4885GRIN2D 26/4885GRIN3B 4/4885

“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.