SCHEMBL6043794

SCHEMBL6043794

[CH2]CCCc1cccc2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
HTR1A P08908 3/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
DRD2 P14416 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BRD4 O60885 1/20 0.35
DPP4 P27487 1/20 0.35
PKM P14618 2/20 0.34

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
SCHEMBL7856329 0.83 HTR2A (0.43) PARP1HTR1AHTR2AHTR2CDRD4
SCHEMBL23124283 0.83 PARP1 (0.45) PARP1HTR1AHTR2AHTR2CDRD4
SCHEMBL3823364 0.82 PARP1 (0.46) PARP1HTR1AHTR2AHTR2CDRD4
SCHEMBL29907256 0.79 PARP1 (0.47) PARP1HTR1AHTR2AHTR2CDRD4
SCHEMBL7856462 0.79 PARP1 (0.47) PARP1HTR1AHTR2AHTR2CDRD4
SCHEMBL3068250 0.79 PARP1 (0.47) PARP1HTR2AHTR2CDRD4DRD3
SCHEMBL23123197 0.77 HTR1A (0.40) PARP1HTR1AHTR2AHTR2CDRD4
SCHEMBL556764 0.77 PARP1 (0.51) PARP1HTR1AHTR2AHTR2CDRD4
SCHEMBL23123879 0.76 HTR1A (0.46) HTR1AHTR2AHTR2CDRD4DRD3
SCHEMBL21941453 0.75 HTR2A (0.42) PARP1HTR1AHTR2AHTR2CDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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 (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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 PARP1 3230/4885HTR1A 1424/4885HTR2A 1481/4885

“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.