SCHEMBL9860825

SCHEMBL9860825

Cc1cc(=O)oc2cc(NCCCCCN)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.61
▸ CA9 Q16790 4/20 0.61
▸ CA4 P22748 1/20 0.61
▸ ALB P02768 5/20 0.54
▸ MAOB P27338 1/20 0.54
▸ ALDH1A1 P00352 8/20 0.53
▸ CA1 P00915 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KDM4E B2RXH2 7/20 0.51
▸ HPGD P15428 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GLA P06280 4/20 0.50
▸ GAA P10253 4/20 0.50
▸ CASP1 P29466 1/20 0.50

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
SCHEMBL17050017 1.00 CA12 (0.61) CA12CA9CA4ALBMAOB
SCHEMBL22501643 0.88 CA12 (0.65) CA12CA9CA4ALBMAOB
SCHEMBL17050020 0.87 CA12 (0.61) CA12CA9CA4ALBMAOB
SCHEMBL12989749 0.87 CA12 (0.64) CA12CA9CA4ALBMAOB
SCHEMBL11596778 0.83 CA12 (0.56) CA12CA9CA4ALBMAOB
SCHEMBL24589798 0.82 CA12 (0.68) CA12CA9CA4ALBMAOB
SCHEMBL11934920 0.82 CA9 (0.55) CA12CA9CA4ALBMAOB
SCHEMBL8620142 0.81 CA12 (0.67) CA12CA9CA4ALBMAOB
SCHEMBL11935347 0.81 CA9 (0.54) CA12CA9CA4ALBMAOB
SCHEMBL17050007 0.81 CA12 (0.57) CA12CA9CA4ALBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064756-A MICROBIAL SUSCEPTIBILITY ASSAY USING 7-N-(AMINOACYL)-7-AMIDO-4-METHYLCOUMARINS SIEMENS HEALTHCARE DIAGNOSTICS INC. 1991-11-12 — — US claimed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 — — US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 — — US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 — — US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 — — US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 — — US disclosed
US-5064756-A MICROBIAL SUSCEPTIBILITY ASSAY USING 7-N-(AMINOACYL)-7-AMIDO-4-METHYLCOUMARINS SIEMENS HEALTHCARE DIAGNOSTICS INC. 1991-11-12 — — 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R CA12 3342/4885CA9 2467/4885CA4 3090/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CA12 2987/4885CA9 2207/4885CA4 3338/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CA12 4169/4885CA9 3152/4885CA4 3872/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CA12 2605/4885CA9 1666/4885CA4 2851/4885

“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.

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