SCHEMBL6442547

SCHEMBL6442547

C[C@@H]1CN(C(=O)c2ccccn2)CCN1C(=O)C(=O)c1c[nH]c2c(-c3ncon3)ccc(F)c12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
GHSR Q92847 8/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
SLC6A7 Q99884 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL6442544 1.00 CYP2C19 (0.48) CYP2C19CYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL6444064 0.91 CYP2D6 (0.55) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL6444069 0.91 CYP2D6 (0.55) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL6442530 0.89 L3MBTL1 (0.43) CYP2C19CYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL6441468 0.88 CYP2C19 (0.49) CYP2C19CYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL6441464 0.88 CYP2C19 (0.49) CYP2C19CYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL6442483 0.87 CYP2C19 (0.48) CYP2C19CYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL6442488 0.87 CYP2C19 (0.48) CYP2C19CYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL6441783 0.87 CYP2C19 (0.45) CYP2C19CYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL6441789 0.87 CYP2C19 (0.45) CYP2C19CYP2D6CYP2C9CYP3A4SMN1; SMN2

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
WO-2002004440-A9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-11-03 WO claimed
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP claimed
EP-1299382-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP claimed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 US claimed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 US claimed
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 EP claimed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 WO claimed

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-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA CYP2C19 1624/4885CYP2D6 831/4885CYP2C9 2370/4885

“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.