SCHEMBL12856491

SCHEMBL12856491

NC1CCC(C(=O)N2CCCCC2)CC1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.79
ALDH1A1 P00352 5/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNB3 Q05901 1/20 0.50
CHRNA6 Q15825 1/20 0.50
HSD11B1 P28845 2/20 0.46
GRM5 P41594 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8518585 1.00 HPGD (0.79) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL2686073 0.98 HPGD (0.75) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL14391353 0.98 HPGD (0.75) HPGDALDH1A1TSHRHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5095962 0.96 HPGD (0.72) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL2688841 0.89 ALDH1A1 (0.60) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL20186941 0.89 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL18228450 0.89 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL16992039 0.89 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL19612780 0.89 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL3504308 0.89 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476696-B Anti-trypanosome and anti-leishmania agents for animals and humans 细胞基因公司 2022-06-10 CN disclosed
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 US disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 US disclosed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 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 (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-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC HPGD 3327/4885ALDH1A1 749/4885TSHR 2107/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC HPGD 3327/4885ALDH1A1 749/4885TSHR 2107/4885

“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.