SCHEMBL755013

SCHEMBL755013

O=C(NCCN1CCOCC1)n1cc[c]n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KCNH2 Q12809 1/20 0.47
BCHE P06276 1/20 0.45
CNR1 P21554 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL13194971 0.72 TDP1 (0.58) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL14237141 0.70 TDP1 (0.60) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL3897267 0.70 SMN1; SMN2 (0.60) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL30522606 0.70 TDP1 (0.75) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL4559188 0.70 HTT (0.53) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL11030344 0.70 MEN1 (0.44) SMN1; SMN2
SCHEMBL585804 0.70 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL166433 0.69 TDP1 (0.58) CD274ALDH1A1HTR1AMAOAMAOB
Hydrochloric Acid SCHEMBL5657522 0.68 GLA (0.58) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL1461242 0.68 GAA (0.60) CD274ALDH1A1HTR1AMAOAMAOB

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
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 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 (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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD CD274 2619/4885ALDH1A1 4785/4885HTR1A 4155/4885

“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.