SCHEMBL4779719

SCHEMBL4779719

CC(C)C1CN(c2nc(N(CO)CO)nc3ccsc23)CCN1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 6/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PRKCI P41743 1/20 0.35
HTR2C P28335 1/20 0.34
PRKCQ Q04759 3/20 0.34
PIK3CA P42336 4/20 0.34
PIK3R1 P27986 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MTOR P42345 3/20 0.33
USP25 Q9UHP3 2/20 0.33
USP28 Q96RU2 1/20 0.33
PRKCD Q05655 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL4775856 0.81 PRKCI (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4725834 0.77 PIK3CA (0.64) PRKCIPIK3CAPIK3R1KDM4EMTOR
SCHEMBL4776431 0.71 MAPK1 (0.40) NMT1HTR2CPRKCQPIK3CAKDM4E
SCHEMBL4781933 0.66 HTR2C (0.42) HTR2CPRKCQPIK3CAKDM4EUSP25
SCHEMBL3155004 0.65 PRKCQ (0.43) NMT1PRKCQPRKCDHTT
SCHEMBL15542775 0.64 CYP1A2 (0.52) NMT1PRKCQKDM4EPRKCDHTT
SCHEMBL391316 0.62 SCN9A (0.42) PRKCIHTR2CPIK3CAMTOR
SCHEMBL4781601 0.62 PRKCQ (0.41) NMT1PRKCQPRKCDHTT
Hydrochloric Acid SCHEMBL4506345 0.62 SCN9A (0.42) PRKCIHTR2CPIK3CAMTOR
SCHEMBL15542969 0.61 HRH4 (0.54)

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-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 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 (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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 NMT1 2087/4885PDE4A 609/4885PDE4B 674/4885

“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.