SCHEMBL7638534

SCHEMBL7638534

O=C1CC2CCCCCC2C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.39
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL11122429 0.97 ALDH1A1 (0.44) MAPTALDH1A1MAPK1TRIM24TRIM33
SCHEMBL1073890 0.97 ALDH1A1 (0.44) MAPTALDH1A1MAPK1TRIM24TRIM33
SCHEMBL7014418 0.97 ALDH1A1 (0.44) MAPTALDH1A1MAPK1TRIM24TRIM33
SCHEMBL8348766 0.97 ALDH1A1 (0.44) MAPTALDH1A1MAPK1TRIM24TRIM33
SCHEMBL427737 0.91 ALDH1A1 (0.47) MAPTALDH1A1MAPK1TRIM24TRIM33
SCHEMBL8348928 0.90
SCHEMBL7999538 0.90
SCHEMBL8348774 0.90
SCHEMBL427801 0.88 ALDH1A1 (0.50) MAPTALDH1A1MAPK1TRIM24TRIM33
SCHEMBL11330896 0.86 TRIM24 (0.50) MAPTALDH1A1MAPK1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107916-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2019-03-20 EP disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
EP-3107916-A1 SPIRO-OXAZOLONES F. Hoffmann-La Roche AG (CH) 2016-12-28 EP disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
WO-2015124541-A1 SPIRO-OXAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2015-08-27 WO disclosed
EP-0963987-B1 Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) HOFFMANN LA ROCHE (CH) 2002-08-28 EP disclosed
EP-0921125-B1 1,3,8-Triazaspiro[4,5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2002-01-30 EP disclosed
EP-0970957-B1 Diaza-spiro[3,5] nonane derivatives HOFFMANN LA ROCHE (CH) 2001-08-16 EP disclosed
US-6113527-A 3,3-BIS-HYDROXYMETHYL-7-(CIS-4-ISOPROPYL-CYCLOHEXYL)-1-PHENYL -1,7-DIAZA-SPIRO-(3.5)NONANE-2-ONE, FOR EXAMPLE; AGONISTS OF THE ORPHANIN FQ (OFQ) RECEPTOR; USEFUL IN THE TREATMENT OF PSYCHIATRIC, NEUROLOGICAL AND PHYSIOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
US-6075034-A Spiro[piperidine-4,1'-pyrrolo [3,4-C] pyrrole]derivatives HOFFMANN-LA ROCHE INC. (US) 2000-06-13 US disclosed
US-6043366-A USEFUL IN TREATING DISORDERS INVOLVING THE ORPHANIN FQ(A SEVENTEEN AMINO ACID LONG PEPTIDE) RECEPTOR. HOFFMAN-LA ROCHE INC. (US) 2000-03-28 US disclosed
EP-0970957-A1 Diaza-spiro[3,5] nonane derivatives F. HOFFMANN-LA ROCHE AG (CH) 2000-01-12 EP disclosed
EP-0963987-A2 Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP disclosed
EP-0921125-A1 1,3,8-Triaza-spiro 4,5 decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 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 (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-20160355522-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 MAPT 2314/4885ALDH1A1 1228/4885MAPK1 3020/4885

“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.