SCHEMBL6429155

SCHEMBL6429155

CN1CCN(CCCNN)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
USP2 O75604 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37

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
SCHEMBL17399195 0.93 PAOX (0.46) PAOXACE2SIGMAR1CHRM2CHRM4
SCHEMBL10764316 0.86 ACE2 (0.44) PAOXACE2SIGMAR1
SCHEMBL4392341 0.81 ACE2 (0.50) PAOXACE2SIGMAR1TP53SMN1; SMN2
SCHEMBL1269079 0.79 CARM1 (0.50) PAOXACE2SIGMAR1TP53SMN1; SMN2
SCHEMBL11729582 0.79 HRH3 (0.56) SMN1; SMN2
SCHEMBL14624313 0.77 PAOX (0.42) PAOXACE2SIGMAR1TP53SMN1; SMN2
SCHEMBL4760025 0.77 PAOX (0.42) PAOXACE2SIGMAR1TP53SMN1; SMN2
SCHEMBL6663287 0.77 PAOX (0.60) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL20234244 0.77 PAOX (0.60) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL14500306 0.77 PAOX (0.54) PAOXSIGMAR1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
EP-1175155-A4 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CT (US) 2005-10-19 EP disclosed
EP-1175155-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2002-01-30 EP disclosed
WO-2000062626-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2000-10-26 WO disclosed
US-4004007-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-01-18 US disclosed
US-3994880-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-11-30 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 (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-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA XPO1, XPOT, DDB1 PAOX 3998/4885ACE2 4230/4885SIGMAR1 1879/4885

“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.