SCHEMBL5617855

SCHEMBL5617855

NCCOc1cc(-c2ccccc2)on1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 5/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CXCR1 P25024 2/20 0.45
TAAR1 Q96RJ0 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 1/20 0.41

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 SCHEMBL8380686 0.98 CHRM4 (0.46) RAB9ANPC1CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8379864 0.95 CXCR1 (0.45) RAB9ANPC1CHRM4CHRM5CHRM1
SCHEMBL27495195 0.89 LTA4H (0.54) RAB9ANPC1CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8378918 0.87 LTA4H (0.53) RAB9ANPC1CXCR1TAAR1
Hydrochloric Acid SCHEMBL27512465 0.86 CHRM4 (0.39) RAB9ANPC1CHRM4CHRM5CHRM1
SCHEMBL27495196 0.85 SMPD1 (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1CXCR1
Hydrochloric Acid SCHEMBL8375525 0.84 CYP1A2 (0.38) RAB9ACHRM4CHRM5CHRM1CHRM3
SCHEMBL27514544 0.84 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1TDP1TP53
SCHEMBL27495197 0.84 TAAR1 (0.39) RAB9ACHRM4CHRM5CHRM1CHRM3
SCHEMBL27495573 0.84 CXCR1 (0.48) RAB9ANPC1SMN1; SMN2CXCR1TP53

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
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US claimed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN claimed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP claimed
JP-11139975-A None JP disclosed
JP-9291082-A None JP disclosed
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
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
JP-H11139975-A TYPE A MONOAMINE OXIDASE INHIBITOR SANKYO CO LTD 1999-05-25 JP disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
JP-H09291082-A ISOXAZOL DERIVATIVE SANKYO CO LTD 1997-11-11 JP 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 RAB9A 3058/4885NPC1 738/4885CHRM4 1312/4885

“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.