SCHEMBL1649680

SCHEMBL1649680

O=C1CCC2CCCC2O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 2/20 0.32
TSHR P16473 1/20 0.32
PRSS1 P07477 2/20 0.31
CTRC Q99895 2/20 0.31
F2 P00734 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
SCHEMBL10036603 0.95 CA1 (0.43) CA1CA9CYP1A2TSHR
SCHEMBL8755163 0.95 CA1 (0.43) CA1CA9CYP1A2TSHR
SCHEMBL113746 0.95 CA1 (0.43) CA1CA9CYP1A2TSHR
SCHEMBL8755171 0.95 CA1 (0.43) CA1CA9CYP1A2TSHR
SCHEMBL11173078 0.88 CA1 (0.44) CA1CA9CYP1A2TSHR
SCHEMBL28730837 0.88 CA1 (0.44) CA1CA9CYP1A2TSHR
SCHEMBL13304668 0.86 CA1 (0.38) CA1CA9TSHR
SCHEMBL28730832 0.86 CA1 (0.43) CA1CA9CYP1A2TSHR
SCHEMBL7909099 0.86 CA1 (0.43) CA1CA9CYP1A2TSHR
SCHEMBL3138434 0.84 CA1 (0.37) CA1CA9TSHR

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-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-20100210635-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US 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-20100210635-A1 RENIN INHIBITORS REN, ACE, AGT CA1 1185/4885CA9 243/4885CYP1A2 802/4885

“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.