SCHEMBL6135645

SCHEMBL6135645

NCC1CN(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LIPE Q05469 1/20 0.45
TPSAB1 Q15661 1/20 0.44

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
SCHEMBL27571961 0.90 TPSAB1 (0.49) TSHRCA12CA1CA2CA9
SCHEMBL27522365 0.89 TSHR (0.45) TSHRCA12CA1CA2CA9
SCHEMBL5652216 0.87 CTSL (0.46) TSHRALDH1A1GAACTSLCTSB
SCHEMBL30135758 0.87 ALDH1A1 (0.47) TSHRCA12CA1CA2CA9
SCHEMBL9525080 0.85 TSHR (0.44) TSHRCA12CA1CA2CA9
SCHEMBL27518718 0.82 CTSL (0.46) TSHRCA12CA1CA2CA9
SCHEMBL9377370 0.82 LIPE (0.48) TSHRCA12CA1CA2CA9
SCHEMBL9380300 0.81 KDM1A (0.49) TSHRCA12CA1CA2CA9
SCHEMBL28743107 0.80 CTSL (0.48) TSHRALDH1A1GAACTSLCTSB
SCHEMBL21681858 0.80 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222395-A1 New peptide derivatives ASTRAZENECA AB (SE) 2005-10-06 US claimed
CN-1278530-A Novel peptide derivative ASTRA AB (SE) 2001-01-03 CN claimed
CN-1278530-A Novel peptide derivative ASTRA AB (SE) 2001-01-03 CN 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-20050222395-A1 New peptide derivatives SERPINE1, SERPINC1, SPINT2 TSHR 1488/4885CA12 2002/4885CA1 1112/4885

“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.