SCHEMBL5259729

SCHEMBL5259729

O=c1oc(=O)n(CC2CC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6689039 0.94 NPC1 (0.45) DHFRNPC1TSHRKDM4E
SCHEMBL5260181 0.93 NPC1 (0.50) DHFRRORARORCRORBNPC1
SCHEMBL1716008 0.91 CNR2 (0.48) DHFR
SCHEMBL29949593 0.87 HTR1A (0.44)
SCHEMBL6737897 0.86 CNR2 (0.46) DHFRTSHRKDM4E
SCHEMBL5309142 0.85 HPGD (0.44) DHFRTSHRUSP2HPGDMAPK1
SCHEMBL29950001 0.84 TSHR (0.45) TSHR
SCHEMBL6235260 0.82 TSHR (0.63) DHFRTSHRKDM4EMAPK1
SCHEMBL30195005 0.81 TSHR (0.64) TSHRUSP2HPGDMAPK1
SCHEMBL6736819 0.81 DHFR (0.43) DHFRTSHRKDM4EUSP2HPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
CN-107141288-B Evodiamine compounds and preparation method and application thereof 中山大学 2019-12-27 CN disclosed
US-9757369-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-09-12 US disclosed
US-20170196850-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-07-13 US disclosed
EP-2769720-B1 HETEROCYCLIC GSK-3 ALLOSTERIC MODULATORS CONSEJO SUPERIOR DE INVESTIG CIENTÍFICAS (CSIC) (ES) 2017-03-29 EP disclosed
US-9585879-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-03-07 US disclosed
US-20160113918-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2016-04-28 US disclosed
US-9193688-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2015-11-24 US disclosed
US-20150057311-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2015-02-26 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO disclosed
US-3969506-A BRONCHODILATOR SANDOZ, INC. (US) 1976-07-13 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 (5 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 DHFR 963/4885RORA 1573/4885RORC 1516/4885
US-20170196850-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP DHFR 3478/4885RORA 145/4885RORC 81/4885
US-20160113918-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP DHFR 3478/4885RORA 145/4885RORC 81/4885
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 DHFR 4538/4885RORA 2958/4885RORC 3553/4885
US-20150057311-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP DHFR 3478/4885RORA 145/4885RORC 81/4885

“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.