SCHEMBL3789014

SCHEMBL3789014

CC(C)[C@@H](COCc1ccccc1)C[Mg]Br

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
TACR1 P25103 6/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.39
SLC1A1 P43005 1/20 0.38

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
SCHEMBL21239569 0.86 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL11000847 0.84 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL1132896 0.83 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL1132897 0.83 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL1132894 0.83 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL12444919 0.81 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL12444920 0.81 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL2963542 0.79 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL2963549 0.79 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL3777580 0.79 CA1 (0.50) TSHRCA1CA2CA7CA9

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-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-20100331287-A1 6-(Aminoalkyl)Indazoles VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
WO-2007120523-A2 6-(AMINOALKYL)INDAZOLES VITAE PHARMACEUTICALS, INC. (US) 2007-10-25 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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 TSHR 4447/4885CA1 4586/4885CA2 598/4885

“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.