SCHEMBL6529488

SCHEMBL6529488

CCCCCC(C)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.42
GNAI3 P08754 6/20 0.42
GNAI1 P63096 6/20 0.42
SIGMAR1 Q99720 3/20 0.40
OPRM1 P35372 1/20 0.37
KDM2B Q8NHM5 1/20 0.33
SPHK1 Q9NYA1 1/20 0.31
CA1 P00915 1/20 0.31
SOD3 P08294 1/20 0.31

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
SCHEMBL4308599 0.98 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1OPRM1
SCHEMBL20363958 0.98 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1OPRM1
SCHEMBL13636463 0.98 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1OPRM1
SCHEMBL20363956 0.98 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1OPRM1
SCHEMBL27736675 0.98 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL4377618 0.96 GNAO1 (0.47) GNAO1GNAI3GNAI1SIGMAR1OPRM1
SCHEMBL13380382 0.94 SIGMAR1 (0.44) GNAO1GNAI3GNAI1SIGMAR1KDM2B
SCHEMBL24026518 0.91 SIGMAR1 (0.40) GNAO1GNAI3GNAI1SIGMAR1OPRM1
SCHEMBL27939602 0.89 GNAI3 (0.36) GNAO1GNAI3GNAI1SIGMAR1OPRM1
Iodide SCHEMBL28872656 0.87 GNAI3 (0.35) GNAO1GNAI3GNAI1SIGMAR1OPRM1

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-6916797-B2 α-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2005-07-12 US claimed
EP-1242399-A1 $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB S.A. (BE) 2002-09-25 EP claimed
WO-2001046167-A1 α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB, S.A. (BE) 2001-06-28 WO claimed
US-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2003-11-27 US disclosed
EP-1242399-A1 $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB S.A. (BE) 2002-09-25 EP disclosed
WO-2001046167-A1 α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB, S.A. (BE) 2001-06-28 WO disclosed
EP-1110958-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2001-06-27 EP 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-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists TACR1, TACR2, NPSR1 GNAO1 1189/4885GNAI3 1563/4885GNAI1 1314/4885

“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.