SCHEMBL5617847

SCHEMBL5617847

NCCOc1noc2c(Cl)cccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.41
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
HTR1B P28222 1/20 0.38
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
NR4A2 P43354 2/20 0.35
TAAR1 Q96RJ0 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SCN5A Q14524 1/20 0.33
SGK1 O00141 1/20 0.32
HTR2A P28223 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
Hydrochloric Acid SCHEMBL6994704 0.98 CYP17A1 (0.40) CYP17A1FAAHMGLLHTR1BCHRNA7
Hydrochloric Acid SCHEMBL6992470 0.85 CYP17A1 (0.41) CYP17A1FAAHMGLLHTR1BTAAR1
SCHEMBL5618398 0.82 CYP17A1 (0.49) CYP17A1FAAHMGLLHTR1BTAAR1
Hydrochloric Acid SCHEMBL6996249 0.81 CYP17A1 (0.48) CYP17A1FAAHMGLLHTR1BTAAR1
SCHEMBL6988156 0.79 CHEK1 (0.36) FAAHMGLL
Hydrochloric Acid SCHEMBL6994883 0.78 CYP17A1 (0.44) CYP17A1FAAHMGLLHTR1BTAAR1
SCHEMBL27475786 0.78 EPHX2 (0.44) CYP17A1FAAHMGLLHTR1BTAAR1
Hydrochloric Acid SCHEMBL6994380 0.78 CHEK1 (0.35)
Hydrochloric Acid SCHEMBL6990457 0.77 CYP17A1 (0.38) CYP17A1FAAHMGLLHTR1BTAAR1
Hydrochloric Acid SCHEMBL6994001 0.77 CYP17A1 (0.38) CYP17A1FAAHMGLLHTR1BKDM4E

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
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP claimed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US claimed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US claimed
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN claimed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 CYP17A1 301/4885FAAH 253/4885MGLL 192/4885

“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.