SCHEMBL6443412

SCHEMBL6443412

CC(C)[C@@H](C=O)C(=O)NCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
TACR3 P29371 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
SCHEMBL739486 0.82 TSHR (0.66) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL6138380 0.79 TSHR (0.59) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL13689024 0.79 TSHR (0.59) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL1726101 0.79 TSHR (0.59) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL13573035 0.79 TSHR (0.62) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL12310311 0.79 TSHR (0.62) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL12310314 0.79 TSHR (0.62) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL12310327 0.78 TSHR (0.58) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL7277453 0.78 TSHR (0.58) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL6443366 0.78 TSHR (0.58) TSHRALDH1A1TDP1NPSR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 TSHR 2585/4885ALDH1A1 889/4885TDP1 758/4885

“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.