SCHEMBL1839110

SCHEMBL1839110

N#CC1CN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP2C19 P33261 1/20 0.49
JAK1 P23458 3/20 0.44
JAK2 O60674 2/20 0.44
HTR2C P28335 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRIN2B Q13224 2/20 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
SCHEMBL12354977 1.00 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2621378 0.86 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL70761 0.86 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2621382 0.86 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL70762 0.86 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14539329 0.83 SMN1; SMN2 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2999166 0.83 SMN1; SMN2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2621342 0.83 SMN1; SMN2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2621369 0.83 SMN1; SMN2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5747789 0.81 SMN1; SMN2 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 MEN1 2090/4885KMT2A 139/4885NPSR1 3530/4885

“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.