SCHEMBL13801428

SCHEMBL13801428

O=C(c1ccccc1)N1CCC(C2CCNCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.72
L3MBTL3 Q96JM7 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ACHE P22303 1/20 0.63
EPHX1 P07099 1/20 0.58
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA7 P36544 1/20 0.57
CHRNA4 P43681 1/20 0.57
HPGD P15428 1/20 0.56
MBTD1 Q05BQ5 1/20 0.55
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MGLL Q99685 1/20 0.52
HSD11B1 P28845 1/20 0.52

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
SCHEMBL28393 0.84 SIGMAR1 (1.00) SIGMAR1ACHECHRNB2CHRNB4CHRNA3
SCHEMBL894920 0.84 SIGMAR1 (1.00) SIGMAR1ACHECHRNB2CHRNB4CHRNA3
Piperazine SCHEMBL28228981 0.82 SIGMAR1 (0.96) SIGMAR1ACHECHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL1597474 0.82 SIGMAR1 (0.96) SIGMAR1ACHECHRNB2CHRNB4CHRNA3
SCHEMBL9644712 0.82 SIGMAR1 (0.96) SIGMAR1ACHEHPGD
SCHEMBL10254838 0.82 L3MBTL3 (0.61) SIGMAR1L3MBTL3L3MBTL1ACHEEPHX1
Piperazine SCHEMBL27760905 0.81 SIGMAR1 (0.93) SIGMAR1ACHECHRNB2CHRNB4CHRNA3
SCHEMBL8988831 0.81 ACHE (0.69) SIGMAR1L3MBTL3L3MBTL1ACHEEPHX1
Benzoic Acid SCHEMBL18838596 0.80 TSHR (0.56) SIGMAR1L3MBTL3L3MBTL1CHRNB2CHRNB4
SCHEMBL4003983 0.80 ACHE (0.73) SIGMAR1L3MBTL3L3MBTL1ACHEEPHX1

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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS SIGMAR1 377/4885L3MBTL3 2960/4885L3MBTL1 2352/4885

“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.