SCHEMBL9954801

SCHEMBL9954801

CCOC(=O)c1cc2c(N3CCN(C(=O)O)CC3)cccc2o1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL16218016 0.89 KDM4E (0.50) ALDH1A1
SCHEMBL10069100 0.87 BACE1 (0.49) ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL30725419 0.87 BACE1 (0.49) ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL9955066 0.86 PRMT1 (0.60) ALDH1A1MAPT
SCHEMBL30725472 0.85 MAOB (0.45) ALDH1A1
SCHEMBL29174566 0.85 MAOB (0.45) ALDH1A1
SCHEMBL29174559 0.81 NR1H4 (0.63) ALDH1A1MAPTGAA
SCHEMBL30725450 0.81 NR1H4 (0.63) ALDH1A1MAPTGAA
SCHEMBL9954861 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL28059090 0.77 HTR6 (0.40) ALDH1A1MAPTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655365-B1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE Acturum Life Science AB (SE) 2015-12-16 EP disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
EP-2655365-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE AstraZeneca AB (SE) 2013-10-30 EP disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 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-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE GRIN2C, BDNF, GRIN2A ALDH1A1 436/4885MAPT 30/4885MEN1 3872/4885

“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.