SCHEMBL19084821

SCHEMBL19084821

CC(C)N1CCN(C(=O)ON)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.43
KCNH2 Q12809 2/20 0.43
CYP2D6 P10635 1/20 0.43
MGLL Q99685 1/20 0.42
CHRNA7 P36544 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
SCHEMBL13404648 0.81 CYP1A2 (0.47) HRH3KCNH2CYP2D6MGLL
SCHEMBL17244903 0.79 HRH3 (0.43) HRH3KCNH2CYP2D6MGLLCHRNA7
SCHEMBL24444266 0.78 HRH3 (0.42) HRH3KCNH2CYP2D6MGLL
SCHEMBL681679 0.78 ALDH1A1 (0.56) MGLL
SCHEMBL2737190 0.76 HRH3 (0.58) HRH3KCNH2CYP2D6
SCHEMBL28216008 0.76 CYP1A2 (0.52) HRH3
SCHEMBL3967519 0.76 HRH3 (0.47) HRH3KCNH2CYP2D6CHRNA7
SCHEMBL15934198 0.76 CYP1A2 (0.52) MGLL
SCHEMBL26680011 0.75 HRH3 (0.66) HRH3KCNH2CYP2D6CHRNA7
SCHEMBL13503648 0.75 KIT (0.44) HRH3KCNH2CYP2D6MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US 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-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HRH3 1844/4885KCNH2 1977/4885CYP2D6 728/4885

“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.