SCHEMBL5508534

SCHEMBL5508534

c1ccc2nc(N3CCCC3)ncc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.73
HRH4 Q9H3N8 1/20 0.73
HCRTR1 O43613 3/20 0.59
HCRTR2 O43614 3/20 0.59
L3MBTL1 Q9Y468 4/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 3/20 0.51
TSHR P16473 2/20 0.51
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
HCAR2 Q8TDS4 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
GFER P55789 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL29648042 1.00 HTR3A (0.73) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL31691646 0.98 HTR3A (0.71) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL3776403 0.98 HTR3A (0.71) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL30824484 0.96 HTR3A (0.73) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL6770810 0.86 CHRNB2 (0.60) HTR3AHRH4HCRTR1HCRTR2HSD17B10
SCHEMBL3551319 0.86 HTR3A (0.69) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL29460463 0.84 HTR3A (0.67) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL2420211 0.84 HTR3A (0.67) HTR3AHRH4HCRTR1HCRTR2L3MBTL1
SCHEMBL603314 0.84 HTR3A (1.00) HTR3AHRH4HCRTR1HCRTR2HSD17B10
SCHEMBL1029333 0.84 HTR3A (0.67) HTR3AHRH4HCRTR1HCRTR2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121429-A1 NOVEL COMPOUND FOR IMPROVING SLEEP OR USE THEREOF 아주대학교산학협력단 2023-06-29 WO disclosed
CN-104918941-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-09-16 CN disclosed
CN-101087778-A Pyrrolidinyl derivatives of heteroaromatic compounds as phosphodiesterase inhibitors PFIZER (US) 2007-12-12 CN disclosed
EP-1838702-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Pfizer Products Inc. (US) 2007-10-03 EP disclosed
US-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PFIZER INC 2006-08-17 US disclosed
WO-2006070284-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-06 WO 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-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PDE12, PDE4A, PDE7A HTR3A 794/4885HRH4 2228/4885HCRTR1 2044/4885

“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.