SCHEMBL6311007

SCHEMBL6311007

CC(C)N1CCC(Oc2cccnc2)C1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.53
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
SPR P35270 1/20 0.46
HRH3 Q9Y5N1 4/20 0.45
PDE9A O76083 1/20 0.45

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
SCHEMBL20147421 0.92 OGA (0.57) OGACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20147427 0.88 CHRNB2 (0.50) OGACHRNB2CHRNA4PDE3BPDE3A
SCHEMBL6311327 0.82 CHRNB2 (0.54) CHRNB2CHRNA4PDE3BPDE3APDE10A
SCHEMBL24521960 0.82 CHRNB2 (0.54) CHRNB2CHRNA4PDE3BPDE3APDE10A
SCHEMBL6306245 0.82 CHRNB2 (0.54) CHRNB2CHRNA4PDE3BPDE3APDE10A
SCHEMBL2737409 0.82 HRH3 (0.58) HRH3
SCHEMBL22098608 0.82 HRH3 (0.58) HRH3
SCHEMBL25502660 0.81 OGA (0.53) OGACHRNB2CHRNA4PDE3BPDE3A
SCHEMBL7237136 0.81 CHRNB2 (0.55) OGACHRNB2CHRNA4PDE3BPDE3A
SCHEMBL7530388 0.81 CHRNB2 (0.55) OGACHRNB2CHRNA4PDE3BPDE3A

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-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US disclosed
US-6888001-B2 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2005-05-03 US disclosed
EP-1107965-B1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO MCNEIL PHARM INC (US) 2004-08-11 EP disclosed
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2003-11-06 US disclosed
US-6562847-B1 Useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
EP-1107965-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION Ortho-McNeil Pharmaceutical, Inc. (US) 2001-06-20 EP disclosed
WO-2000010997-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-02 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 (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-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. CHRM1, CHRM5, CHRM2 OGA 1441/4885CHRNB2 13/4885CHRNA4 14/4885
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 OGA 2524/4885CHRNB2 3932/4885CHRNA4 4622/4885

“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.