SCHEMBL2306044

SCHEMBL2306044

O=C(O)NNC1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHRM4 P08173 1/20 0.32
NAMPT P43490 2/20 0.31
GABRA5 P31644 1/20 0.31
GSTO1 P78417 1/20 0.30
HPGDS O60760 1/20 0.30

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
SCHEMBL27816024 1.00 NPC1 (0.34) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL618237 0.88 NAMPT (0.34) NPC1RAB9ANAMPT
SCHEMBL16611327 0.86 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18988995 0.81
SCHEMBL15614617 0.80
SCHEMBL185632 0.80
SCHEMBL4321186 0.80
SCHEMBL28138206 0.79 ALDH1A1 (0.33) NPC1RAB9AHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4325316 0.78 RAB9A (0.40) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL27906782 0.76 OPRM1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982675-B1 SALT OF PYRAZOLOQUINOLINE DERIVATIVE, AND CRYSTAL THEREOF EISAI R&D MAN CO LTD (JP) 2017-08-16 EP disclosed
US-9573947-B2 Salt of pyrazoloquinoline derivative, and crystal thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-02-21 US disclosed
US-20160046623-A1 SALT OF PYRAZOLOQUINOLINE DERIVATIVE, AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-18 US disclosed
EP-2982675-A1 SALT OF PYRAZOLOQUINOLINE DERIVATIVE, AND CRYSTAL THEREOF Eisai R&D Management Co., Ltd. (JP) 2016-02-10 EP disclosed
EP-2769980-B1 PYRAZOLOQUINOLINE DERIVATIVE AS PDE9 INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-02-03 EP disclosed
EP-2769980-A1 PYRAZOLOQUINOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2014-08-27 EP disclosed
US-20130296352-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-11-07 US disclosed
US-8563565-B2 Pyrazoloquinoline derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-10-22 US disclosed
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-06-06 US disclosed
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 US disclosed
EP-2350017-A1 AMIDE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2011-08-03 EP disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 US disclosed
WO-2010032200-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2010-03-25 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 (5 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-20100249091-A1 Amide Compounds Useful in Therapy PTGER3, PTGER1, PTGER2 NPC1 3174/4885RAB9A 2122/4885HDAC3 71/4885
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES PDE2A, PDE3A, PDE3B NPC1 1820/4885RAB9A 66/4885HDAC3 1462/4885
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY GNRHR, RXFP1, ARG1 NPC1 4211/4885RAB9A 880/4885HDAC3 21/4885
US-20160046623-A1 SALT OF PYRAZOLOQUINOLINE DERIVATIVE, AND CRYSTAL THEREOF ME1, TST, ME3 NPC1 2924/4885RAB9A 2806/4885HDAC3 1930/4885
US-20130296352-A1 PYRAZOLOQUINOLINE DERIVATIVES PDE2A, PDE3A, PDE3B NPC1 1820/4885RAB9A 66/4885HDAC3 1462/4885

“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.