SCHEMBL2633302

SCHEMBL2633302

CC1CN(C(=O)c2ccccn2)CCN1C(=O)C(=O)c1c[nH]c2c(-c3cncs3)nccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.53
CYP2D6 P10635 4/20 0.53
CYP2C9 P11712 3/20 0.53
CYP3A4 P08684 1/20 0.51
GHSR Q92847 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMO Q99835 2/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CFTR P13569 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
SCHEMBL1763127 1.00 CYP2C19 (0.53) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763312 1.00 CYP2C19 (0.53) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL9942600 0.84 CYP2C19 (0.59) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL13639699 0.84 CYP2C19 (0.59) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL9942592 0.84 CYP2C19 (0.59) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763427 0.83 CYP2C19 (0.58) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL2633365 0.83 CYP2C19 (0.58) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763486 0.83 CYP2C19 (0.58) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763176 0.83 CYP2C19 (0.51) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL2633300 0.83 CYP2C19 (0.51) CYP2C19CYP2D6CYP2C9CYP3A4GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363705-B9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-11-07 EP disclosed
US-20120238583-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
EP-1363705-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-06-13 EP disclosed
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 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 (4 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-20120238583-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP CYP2C19 804/4885CYP2D6 600/4885CYP2C9 1267/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 CYP2C19 1991/4885CYP2D6 943/4885CYP2C9 2812/4885
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP CYP2C19 804/4885CYP2D6 600/4885CYP2C9 1267/4885
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP CYP2C19 804/4885CYP2D6 600/4885CYP2C9 1267/4885

“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.