SCHEMBL824228

SCHEMBL824228

CC(C)C1CCN(CC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.37
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
SLC6A9 P48067 1/20 0.36
S1PR1 P21453 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
BACE1 P56817 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL19992919 0.89 HSD17B10 (0.37) HSD17B10SMN1; SMN2CPN1CPB2SLC6A9
SCHEMBL15496585 0.86 HSD17B10 (0.37) HSD17B10SLC6A9S1PR1ITGB3ITGA2B
SCHEMBL8282582 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2CPN1CPB2SLC6A9
SCHEMBL19841834 0.85 HSD17B10 (0.41) HSD17B10SMN1; SMN2CPN1CPB2SLC6A9
SCHEMBL15247296 0.84 SMN1; SMN2 (0.37) SMN1; SMN2CPN1CPB2
SCHEMBL21450627 0.83 HSD17B10 (0.37) HSD17B10SMN1; SMN2SLC6A9GSK3B
SCHEMBL2603216 0.82 KDM4E (0.47) SMN1; SMN2CPN1CPB2
SCHEMBL22794329 0.82 SMN1; SMN2 (0.36) SMN1; SMN2BACE1
SCHEMBL26890387 0.82 SMN1; SMN2 (0.36) SMN1; SMN2BACE1
SCHEMBL19184868 0.82 ITGB3 (0.37) CPN1CPB2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180502-B2 Azaspiro[4.5]decane derivatives and use thereof PURDUE PHARMA L.P. (US) 2021-11-23 US disclosed
US-20210323970-A1 METHOD FOR PRODUCING A SPIROOXINDOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-21 US disclosed
US-11001650-B2 Electron donor for polyolefin polymerization catalysts and uses thereof BRASKEM AMERICA, INC. (US) 2021-05-11 US disclosed
US-10851111-B2 Method for producing a spirooxindole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-12-01 US disclosed
US-10774050-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2020-09-15 US disclosed
US-10730866-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2020-08-04 US disclosed
US-20200172548-A9 METHOD FOR PRODUCING A SPIROOXINDOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-06-04 US disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2019-01-03 US disclosed
US-10030028-B2 Method for producing a spirooxindole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-24 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20080064677-A9 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2008-03-13 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 US disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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 (17 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 HSD17B10 3082/4885SMN1; SMN2 2862/4885CPN1 3979/4885
US-10030028-B2 Method for producing a spirooxindole derivative MDM2, TP53, RB1 HSD17B10 1652/4885SMN1; SMN2 4855/4885CPN1 2057/4885
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 HSD17B10 4104/4885SMN1; SMN2 364/4885CPN1 2604/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HSD17B10 255/4885SMN1; SMN2 4707/4885CPN1 264/4885
US-20080064677-A9 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 HSD17B10 3082/4885SMN1; SMN2 2862/4885CPN1 3979/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HSD17B10 255/4885SMN1; SMN2 4707/4885CPN1 264/4885
US-20080015177-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR2, S1PR5 HSD17B10 3070/4885SMN1; SMN2 2803/4885CPN1 4424/4885
US-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 HSD17B10 2512/4885SMN1; SMN2 4041/4885CPN1 3100/4885
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 HSD17B10 3493/4885SMN1; SMN2 426/4885CPN1 3775/4885
US-11180502-B2 Azaspiro[4.5]decane derivatives and use thereof TRPV1, SCN5A, TRPA1 HSD17B10 1559/4885SMN1; SMN2 630/4885CPN1 4766/4885
US-10730866-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 HSD17B10 3408/4885SMN1; SMN2 780/4885CPN1 4664/4885
US-11001650-B2 Electron donor for polyolefin polymerization catalysts and uses thereof PARG, PUF60, PARP1 HSD17B10 1997/4885SMN1; SMN2 2509/4885CPN1 2346/4885
US-10774050-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 HSD17B10 3493/4885SMN1; SMN2 426/4885CPN1 3775/4885
US-20070173487-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 HSD17B10 3082/4885SMN1; SMN2 2862/4885CPN1 3979/4885
US-20210323970-A1 METHOD FOR PRODUCING A SPIROOXINDOLE DERIVATIVE MDM2, TP53, RB1 HSD17B10 1652/4885SMN1; SMN2 4855/4885CPN1 2097/4885
US-10851111-B2 Method for producing a spirooxindole derivative MDM2, TP53, RB1 HSD17B10 1652/4885SMN1; SMN2 4855/4885CPN1 2097/4885
US-20200172548-A9 METHOD FOR PRODUCING A SPIROOXINDOLE DERIVATIVE MDM2, TP53, RB1 HSD17B10 1652/4885SMN1; SMN2 4855/4885CPN1 2097/4885

“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.