SCHEMBL585029

SCHEMBL585029

COCCC(=O)N1CCC(N)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.57
GNAO1 P09471 1/20 0.57
GNAI1 P63096 1/20 0.57
NPC1 O15118 2/20 0.46
CACNA1B Q00975 2/20 0.44
POLB P06746 2/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AOC3 Q16853 1/20 0.38

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
Hydrochloric Acid SCHEMBL27080119 0.98 GNAI3 (0.59) GNAI3GNAO1GNAI1NPC1CACNA1B
SCHEMBL14294406 0.90 GNAI3 (0.51) GNAI3GNAO1GNAI1NPC1CACNA1B
SCHEMBL6586631 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1NPC1CACNA1B
SCHEMBL12385904 0.84 NPC1 (0.67) NPC1POLBDRD2DRD3ALDH1A1
SCHEMBL3861156 0.83 GAA (0.54) POLBALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL584259 0.81 GNAI3 (0.51) GNAI3GNAO1GNAI1NPC1CACNA1B
SCHEMBL7875482 0.81 GNAI3 (0.59) GNAI3GNAO1GNAI1NPC1CACNA1B
SCHEMBL12436979 0.81 ALDH1A1 (0.47) NPC1POLBDRD2DRD3ALDH1A1
SCHEMBL15431605 0.81 ALDH1A1 (0.47) GNAI3GNAO1GNAI1NPC1POLB
SCHEMBL16826909 0.80 NAMPT (0.46) GNAI3GNAO1GNAI1NPC1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140044672-A1 CONJUGATES OF A GM-CSF MOIETY AND A POLYMER NEKTAR THERAPEUTICS (US) 2014-02-13 US disclosed
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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 (2 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-20140044672-A1 CONJUGATES OF A GM-CSF MOIETY AND A POLYMER CSF3R, GMFG, CSF1R GNAI3 1465/4885GNAO1 1969/4885GNAI1 1425/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR GNAI3 847/4885GNAO1 1000/4885GNAI1 511/4885

“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.