SCHEMBL5405837

SCHEMBL5405837

NCCCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
AOC3 Q16853 1/20 0.51
NOS1 P29475 3/20 0.50
SLC7A5 Q01650 4/20 0.49
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48

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 SCHEMBL1246238 0.98 MAOB (0.58) MAOBAOC3NOS1SLC7A5LTA4H
SCHEMBL4027117 0.92 MAOB (0.53) MAOBAOC3NOS1SLC7A5
SCHEMBL1290562 0.90 MAOB (0.57) MAOBAOC3NOS1LTA4HALDH1A1
Hydrochloric Acid SCHEMBL30020614 0.88 MAOB (0.60) MAOBAOC3NOS1LTA4HALDH1A1
SCHEMBL10458622 0.83 MAOB (0.53) MAOBAOC3NOS1LTA4HALDH1A1
SCHEMBL991452 0.82 TAAR1 (0.56) LTA4HTAAR1
SCHEMBL6266422 0.82 MAOB (0.50) MAOBAOC3NOS1LTA4HALDH1A1
SCHEMBL12409185 0.82 CHRNB2 (0.54) MAOBNOS1LTA4H
SCHEMBL7252172 0.82 NOS1 (0.51) MAOBAOC3NOS1LTA4HALDH1A1
Hydrochloric Acid SCHEMBL6258205 0.80 TAAR1 (0.54) LTA4HTAAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354590-A Quinazolinone compound for antagonizing NOD1/2 receptor signal pathway 宁波康柏睿格医药科技有限公司 2021-09-07 CN disclosed
US-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2017-02-16 US disclosed
US-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2017-02-16 US disclosed
WO-2015071657-A9 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2016-09-15 WO disclosed
WO-2015155306-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2015-10-15 WO disclosed
WO-2015071657-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2015-05-21 WO disclosed
US-7217696-B2 Glycuronamides, glycosides and orthoester glycosides of fluoxetine, analogs and uses thereof A & D BIOSCIENCE, INC. (US) 2007-05-15 US disclosed
US-20050130908-A1 Glycuronamides, glycosides and orthoester glycosides of fluoxetine, analogs and uses thereof HOLICK MICHAEL F (US) 2005-06-16 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 (2 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-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, NR5A1 MAOB 4027/4885AOC3 2461/4885NOS1 3004/4885
US-20050130908-A1 Glycuronamides, glycosides and orthoester glycosides of fluoxetine, analogs and uses thereof PYGB, GBA3, GAA MAOB 29/4885AOC3 609/4885NOS1 1442/4885

“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.