SCHEMBL17584292

SCHEMBL17584292

O=C(O)c1cc2ccccc2nc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 6/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PARP1 P09874 1/20 0.46
MGAM O43451 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
IKBKB O14920 1/20 0.42
PDE10A Q9Y233 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PADI4 Q9UM07 1/20 0.41
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4228872 0.84 KDM4E (0.61) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL31423348 0.78 KDM4E (0.56) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL3715949 0.78 KDM4E (0.56) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL17584653 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL14932551 0.76 BCHE (0.45) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL5789435 0.76 KDM4E (0.47) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL22278945 0.74 PPARA (0.53) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL8807038 0.72 SMN1; SMN2 (0.56) ALDH1A1KDM4EMEN1KMT2AMGAM
SCHEMBL12386822 0.71 MEN1 (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3912410 0.71 PDE10A (0.56) ALDH1A1KDM4EGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108566-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-11-24 CN disclosed
EP-3191468-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-12-12 EP disclosed
EP-3191468-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2017-07-19 EP disclosed
US-9611262-B2 Substituted 2-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-04-04 US disclosed
US-9611262-B2 Substituted 2-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-04-04 US disclosed
US-9611262-B2 Substituted 2-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-04-04 US disclosed
WO-2016040789-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO disclosed
US-20160075696-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 US disclosed
US-20160075696-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 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-20160075696-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY2R ALDH1A1 971/4885KDM4E 478/4885GAA 2288/4885

“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.