SCHEMBL2552391

SCHEMBL2552391

CC1CN(C2CC2)C(=O)CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.34
NSD2 O96028 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 1/20 0.32
ACHE P22303 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL5178203 0.76 BRD4 (0.38) GAAMAPTTSHRSMN1; SMN2
SCHEMBL2551738 0.74 POLB (0.35) GAAPOLB
SCHEMBL1583262 0.72 CHRM2 (0.40) GAAPOLBNPSR1
SCHEMBL3985687 0.71 CACNA1G (0.39) GAAPOLBMAPTTSHRSMN1; SMN2
SCHEMBL20820009 0.71
SCHEMBL20820011 0.71
SCHEMBL1583263 0.70 RAB9A (0.45) GAAPOLBTSHRNPSR1SMN1; SMN2
SCHEMBL19947758 0.69 PDE4B (0.33) GAAMAPTTSHRNSD2
SCHEMBL29942458 0.69 TSHR (0.54) GAAMAPTTSHRSMN1; SMN2L3MBTL1
SCHEMBL29942704 0.69 TSHR (0.54) GAAMAPTTSHRSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
EP-2552923-A1 MACROCYCLIC INTEGRASE INHIBITORS Janssen R&D Ireland (IE) 2013-02-06 EP disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 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 (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-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS TYMP, PIM1, TYMS GAA 429/4885POLB 27/4885MAPT 994/4885

“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.