SCHEMBL1448700

SCHEMBL1448700

COC(CNC1CCN(Cc2ccccc2)CC1)OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.62
BACE1 P56817 12/20 0.62
BCHE P06276 9/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 1/20 0.60
SIGMAR1 Q99720 3/20 0.58
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
LMNA P02545 1/20 0.54
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL2498286 0.79 ACHE (0.73) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL7095040 0.79 LTA4H (0.56) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL668666 0.79 SLC6A2 (0.68) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL20214251 0.78 CCR3 (0.59) ACHEBACE1BCHE
Hydrochloric Acid SCHEMBL2766858 0.78 ACHE (0.71) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL7931941 0.78 ACHE (0.62) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL14839621 0.77 SLC6A2 (0.62) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL14367985 0.77 ACHE (1.00) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL15356103 0.77 ACHE (0.61) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL8408493 0.77 ACHE (0.69) ACHEBACE1BCHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385040-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO Pharmaceutical Co., Ltd. (JP) 2011-11-09 EP disclosed
US-7910741-B2 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
CN-101928284-A Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO 2010-12-29 CN disclosed
CN-1787996-B Nitrogen-containing heterocyclic derivative and drug containing the same as active ingredient ONO PHARMACEUTICAL CO 2010-06-16 CN disclosed
CN-101333185-A Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO (JP) 2008-12-31 CN disclosed
CN-101333186-A Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO (JP) 2008-12-31 CN disclosed
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-10 US disclosed
CN-1787996-A Nitrogen-containing heterocyclic derivative and drug containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2006-06-14 CN disclosed
EP-1604981-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 EP disclosed
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed
WO-1995024405-A1 IMIDAZOLIDIN-2-ONES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-09-14 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-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient HLA-DRB1, ELANE, MMP8 ACHE 1457/4885BACE1 646/4885BCHE 781/4885

“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.