SCHEMBL4153811

SCHEMBL4153811

C[C@@H](Nc1ncnc2cc(C(=O)N3CCC[C@H](CN4CCCC4)C3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.39
HRH4 Q9H3N8 1/20 0.35
PDE2A O00408 2/20 0.35
EGFR P00533 5/20 0.34
TSHR P16473 1/20 0.34
PRCP P42785 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
KMT2A Q03164 1/20 0.33
ERBB2 P04626 2/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL4153812 1.00 SYK (0.39) SYKHRH4PDE2AEGFRTSHR
SCHEMBL8322561 1.00 SYK (0.39) SYKHRH4PDE2AEGFRTSHR
SCHEMBL4149366 0.92 TLR9 (0.36) PDE2AEGFRTSHRPRCPKMT2A
SCHEMBL8321511 0.92 TLR9 (0.36) PDE2AEGFRTSHRPRCPKMT2A
SCHEMBL4149373 0.92 TLR9 (0.36) PDE2AEGFRTSHRPRCPKMT2A
SCHEMBL4165662 0.91 PDE2A (0.35) PDE2AEGFRTSHRKMT2AERBB2
SCHEMBL8317609 0.91 TLR8 (0.37) PDE2AEGFRTSHRKMT2AFGFR1
SCHEMBL4154045 0.89 PDE2A (0.37) PDE2AEGFRTSHRERBB2
SCHEMBL8321200 0.89 PDE2A (0.37) PDE2AEGFRTSHRERBB2
SCHEMBL4154043 0.89 PDE2A (0.37) PDE2AEGFRTSHRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US claimed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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 (2 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 SYK 2898/4885HRH4 1414/4885PDE2A 1487/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SYK 2867/4885HRH4 877/4885PDE2A 940/4885

“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.