SCHEMBL4778282

SCHEMBL4778282

CC(C)C1CN(c2nc3ccccc3c(=O)[nH]2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.57
PARP1 P09874 3/20 0.48
MGLL Q99685 12/20 0.48
MAPT P10636 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
SCHEMBL14311291 0.83 HTR3A (0.58) HTR3AMAPT
SCHEMBL14258880 0.77 TSHR (0.47) HTR3AMAPT
SCHEMBL20897573 0.77 HTR3A (0.72) HTR3APARP1MGLL
Hydrochloric Acid SCHEMBL20897549 0.76 HTR3A (0.70) HTR3APARP1MGLL
Hydrochloric Acid SCHEMBL20897547 0.76 HTR3A (0.70) HTR3APARP1MGLL
Hydrochloric Acid SCHEMBL29784162 0.76 HTR3A (0.70) HTR3APARP1MGLL
SCHEMBL4726050 0.75 TSHR (0.46) HTR3AMAPT
SCHEMBL4725671 0.75 TSHR (0.46) HTR3AMAPT
SCHEMBL15542775 0.74 CYP1A2 (0.52) MAPT
Acetic Acid SCHEMBL20897485 0.74 HTR3A (0.67) HTR3AMGLL

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 HTR3A 180/4885PARP1 1412/4885MGLL 4241/4885

“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.