SCHEMBL22117243

SCHEMBL22117243

C=CCCCCNCC(C)(C)CO

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL22117203 0.94 ALDH1A1 (0.33) TSHRALDH1A1LMNA
SCHEMBL22402371 0.80 TSHR (0.42) TSHRALDH1A1LMNA
SCHEMBL3431923 0.76 PTGS1 (0.37)
SCHEMBL3123097 0.74 TSHR (0.41) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL4320779 0.74 TSHR (0.44) TSHRALDH1A1
SCHEMBL3431919 0.72
SCHEMBL1241873 0.72 TSHR (0.46) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL22117260 0.71 TSHR (0.37) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL22117236 0.71 TSHR (0.37) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL733134 0.71 TSHR (0.40) TSHRALDH1A1LMNAABCC4MAPT

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-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-03-10 US disclosed
EP-3898621-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2021-10-27 EP disclosed
CN-113227087-A Macrocyclic compounds and their use in the treatment of disease 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020128925-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2020-06-25 WO disclosed
WO-2020128925-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2020-06-25 WO 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-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, PKD1, PKD2 TSHR 1576/4885ALDH1A1 1333/4885LMNA 2755/4885

“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.