SCHEMBL5012467

SCHEMBL5012467

NC1CCN(CC2CCOC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.36
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
HSD11B1 P28845 1/20 0.34
HTR4 Q13639 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
MGLL Q99685 1/20 0.33
ACHE P22303 1/20 0.33
GBA1 P04062 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
MLNR O43193 1/20 0.32
CYP11B2 P19099 1/20 0.31
PIK3CA P42336 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL7226560 1.00 NAMPT (0.36) NAMPTGNAI3GNAO1GNAI1HSD11B1
SCHEMBL8235039 0.88 GBA1 (0.41) NAMPTGNAI3GNAO1GNAI1HTR4
Hydrochloric Acid SCHEMBL28386967 0.86 GBA1 (0.40) NAMPTGNAI3GNAO1GNAI1HTR4
SCHEMBL5315253 0.83 NCF1 (0.41) NAMPTHSD11B1HTR4TLR9TLR8
SCHEMBL5316533 0.83 NCF1 (0.41) NAMPTHSD11B1HTR4TLR9TLR8
SCHEMBL12671 0.82 CHRM5 (0.52) NAMPTHSD11B1HTR4TLR9TLR8
SCHEMBL8261146 0.81 ACHE (0.55) NAMPTHSD11B1HTR4TLR9TLR8
SCHEMBL13220 0.80 ADRA2C (0.56) NAMPTHSD11B1HTR4CHRM5ADRA2C
SCHEMBL3950204 0.77 NAMPT (0.38) NAMPTHSD11B1HTR4TLR9TLR8
SCHEMBL10092855 0.77 GBA1 (0.36) NAMPTHSD11B1HTR4TLR9TLR8

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-20080207645-A1 Pyridothienopyrimidine Derivatives PAGES SANTACANA LUIS MIGUEL 2008-08-28 US disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 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 (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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 NAMPT 279/4885GNAI3 2099/4885GNAO1 2886/4885
US-20080207645-A1 Pyridothienopyrimidine Derivatives PDE4A, PDE5A, PDE3B NAMPT 121/4885GNAI3 1553/4885GNAO1 943/4885

“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.