SCHEMBL1295686

SCHEMBL1295686

CC(C)(C)OC(=O)NCC(=O)Cc1cc(F)cc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.43
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
AAK1 Q2M2I8 1/20 0.34
KDM4A O75164 1/20 0.34
NQO2 P16083 1/20 0.34
SERPINE1 P05121 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
EGFR P00533 1/20 0.34
AURKB Q96GD4 1/20 0.34
PTPN11 Q06124 1/20 0.33

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
SCHEMBL1295366 0.84 RIPK1 (0.40) RIPK1MTNR1AMTNR1BKDM4ANQO2
SCHEMBL1294973 0.84 GPR119 (0.47) RIPK1MTNR1AMTNR1BKDM4ANQO2
SCHEMBL1295139 0.82 RIPK1 (0.37) RIPK1MTNR1AMTNR1BAAK1KDM4A
SCHEMBL6349425 0.81 CTSS (0.40) KDM4ACACNA1HCACNA1BCACNA1CALDH1A1
SCHEMBL1295667 0.77 DRD2 (0.38) MTNR1AMTNR1BALDH1A1MAPTHPGD
SCHEMBL28510480 0.76 HPGD (0.44) MTNR1AMTNR1BAAK1KDM4ASERPINE1
SCHEMBL1296026 0.75 EPAS1 (0.41) CACNA1HCACNA1BCACNA1CALDH1A1HPGD
SCHEMBL1295333 0.75 MMP13 (0.41) KDM4AALDH1A1MAPTHPGDTSHR
SCHEMBL1295503 0.75 CTSS (0.48) ALDH1A1HPGDCTSSCTSKTDP1
SCHEMBL1295469 0.75 GAA (0.40) RIPK1KDM4ACTSSCTSKEGFR

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-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 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 (3 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-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 RIPK1 2076/4885MTNR1A 3333/4885MTNR1B 2711/4885
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 RIPK1 2076/4885MTNR1A 3333/4885MTNR1B 2711/4885
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 RIPK1 2076/4885MTNR1A 3333/4885MTNR1B 2711/4885

“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.