SCHEMBL19731580

SCHEMBL19731580

CN1CCC2CN(CCN3CC4CN(C)CC4C3)CC2C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
HRH3 Q9Y5N1 5/20 0.33
SIGMAR1 Q99720 3/20 0.33
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 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
SCHEMBL24773738 0.88 NCF1 (0.40) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL12605051 0.88 NCF1 (0.40) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL26845986 0.88 NCF1 (0.40) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL17285887 0.88 NCF1 (0.40) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL17918966 0.87 GNAI3 (0.43) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL25571623 0.85 NCF1 (0.43) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL2279449 0.83 NCF1 (0.43) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL21271537 0.83 NCF1 (0.43) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL24319846 0.82 NCF1 (0.41) NCF1GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL24319173 0.81 NCF1 (0.43) NCF1GNAI3GNAO1GNAI1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360794-A1 JAK INHIBITOR Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2017-12-21 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-20170360794-A1 JAK INHIBITOR JAK2, JAK1, JAK3 NCF1 863/4885GNAI3 412/4885GNAO1 3251/4885

“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.