SCHEMBL185865

SCHEMBL185865

O=C(O)C1(N(Cc2ccccc2)Cc2ccccc2)COC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 2/20 0.39
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL14830900 0.84 NPC1 (0.43) NPC1RAB9ANPSR1CA12CA9
SCHEMBL15218849 0.83 NPC1 (0.41) NPC1RAB9ANPSR1CA12CA9
SCHEMBL15688938 0.81 NPC1 (0.41) NPC1RAB9ANPSR1CA12CA9
SCHEMBL1964253 0.81 AKR1C1 (0.43) NPC1RAB9ANPSR1CA12CA9
SCHEMBL372682 0.79 AKR1C1 (0.42) NPC1RAB9ANPSR1CA12CA9
SCHEMBL17113633 0.79 AKR1C1 (0.42) NPC1RAB9ANPSR1CA12CA9
SCHEMBL185866 0.76 KMT2A (0.40) NPC1RAB9ANPSR1CA12CA9
SCHEMBL14690774 0.74 NPC1 (0.42) NPC1RAB9ANPSR1CA12CA9
SCHEMBL14830423 0.74 NPC1 (0.49) NPC1RAB9ANPSR1CA12CA9
SCHEMBL14691148 0.73 TSHR (0.43) NPC1RAB9ANPSR1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285581-A Synthesis method of 3-amino oxetane-3-formic acid 长沙瀚辰生物科技有限公司 2025-01-10 CN disclosed
EP-2958918-B1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INT (DE) 2016-12-07 EP disclosed
EP-2958918-A1 DIHYDROPTERIDINONES II Boehringer Ingelheim International GmbH (DE) 2015-12-30 EP disclosed
US-8865716-B2 Dihydropteridinones II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
WO-2014127816-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-28 WO disclosed
US-20130225593-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (3 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 NPC1 926/4885RAB9A 347/4885NPSR1 69/4885
US-20130225593-A1 DIHYDROPTERIDINONES II BACE1, BACE2, APP NPC1 1144/4885RAB9A 3395/4885NPSR1 1297/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 NPC1 926/4885RAB9A 347/4885NPSR1 69/4885

“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.