SCHEMBL8967209

SCHEMBL8967209

CC(CO)C1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.38
GNAI3 P08754 4/20 0.33
GNAO1 P09471 4/20 0.33
GNAI1 P63096 4/20 0.33
HTR1A P08908 1/20 0.32
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
IDO1 P14902 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
SCHEMBL14431936 0.87 NCF1 (0.35) NCF1
SCHEMBL12103435 0.83 NCF1 (0.35) NCF1GNAI3GNAO1GNAI1HTR1A
SCHEMBL30981065 0.82 HTT (0.30)
SCHEMBL8966747 0.82
SCHEMBL13600026 0.81 NCF1 (0.41) NCF1GNAI3GNAO1GNAI1HTR1A
SCHEMBL19534541 0.81 NCF1 (0.41) NCF1GNAI3GNAO1GNAI1HTR1A
SCHEMBL1842886 0.80 SMN1; SMN2 (0.44)
SCHEMBL14376621 0.80 HRH3 (0.33)
SCHEMBL8056802 0.80
SCHEMBL140296 0.80

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-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
EP-0468434-B1 Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis MERRELL DOW PHARMA (US) 1996-02-28 EP disclosed
US-5348964-A Anticholesterol agents or fungicides MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-20 US disclosed
EP-0468434-A1 Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP 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-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 NCF1 517/4885GNAI3 1113/4885GNAO1 1241/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 NCF1 634/4885GNAI3 1173/4885GNAO1 1285/4885

“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.