SCHEMBL5113702

SCHEMBL5113702

CNC(=O)N1CCc2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
NOTUM Q6P988 5/20 0.51
SYK P43405 1/20 0.48
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44
USP2 O75604 1/20 0.44
NPC1 O15118 3/20 0.43
NFKB1 P19838 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 2/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL15448489 0.84 NOTUM (0.69) ADRB2ADRB1ADRB3NOTUMSYK
SCHEMBL583556 0.83 ADRB2 (0.55) ADRB2ADRB1ADRB3NOTUMSYK
SCHEMBL12852527 0.83 ADRB2 (0.58) ADRB2ADRB1ADRB3NOTUMSYK
SCHEMBL12077343 0.83 ADRB2 (0.55) ADRB2ADRB1ADRB3NOTUMSYK
SCHEMBL6072422 0.82 NOTUM (0.73) NOTUMNPC1RAB9ASMN1; SMN2TP53
SCHEMBL27609230 0.81 KDM4E (0.61) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL23113108 0.81 NPC1 (0.59) ADRB2NOTUMHTR2AHTR2CPDK1
SCHEMBL15447718 0.81 ADRB2 (0.53) ADRB2ADRB1ADRB3NOTUMSYK
SCHEMBL20905514 0.81 ADRB2 (0.56) ADRB2ADRB1ADRB3NOTUMSYK
SCHEMBL9799445 0.79 NPC1 (0.67) ADRB2ADRB1ADRB3NOTUMHTR2C

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-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 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 (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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ADRB2 209/4885ADRB1 203/4885ADRB3 337/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ADRB2 209/4885ADRB1 203/4885ADRB3 337/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ADRB2 209/4885ADRB1 203/4885ADRB3 337/4885

“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.