SCHEMBL14828644

SCHEMBL14828644

C[C@H]1C2CC(C[C@@H]2N)[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 4/20 0.46
FABP5 Q01469 4/20 0.46
TSHR P16473 1/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
ALDH1A1 P00352 2/20 0.42
RCOR1 Q9UKL0 1/20 0.42
HTR2C P28335 1/20 0.40
CPB1 P15086 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL14827596 0.87 FABP7 (0.48) FABP7FABP5TSHRALDH1A1HTR2C
SCHEMBL10119903 0.87 FABP7 (0.48) FABP7FABP5TSHRKDM1AMAOA
SCHEMBL13197262 0.79 FABP7 (0.54) FABP7FABP5TSHRALDH1A1HTR2C
SCHEMBL14827593 0.79 FABP7 (0.55) FABP7FABP5TSHRALDH1A1HTR2C
SCHEMBL31145528 0.77 FABP7 (0.61) FABP7FABP5TSHRALDH1A1HTR2C
SCHEMBL14827594 0.77 ALDH1A1 (0.48) FABP7FABP5TSHRALDH1A1HTR2C
SCHEMBL14827592 0.77 ALDH1A1 (0.48) FABP7FABP5TSHRALDH1A1HTR2C
SCHEMBL13198696 0.76 CPB1 (0.43) FABP7FABP5TSHRKDM1AMAOB
SCHEMBL10119904 0.76 CPB1 (0.43) FABP7FABP5TSHRKDM1AMAOB
SCHEMBL10119908 0.74 ALDH1A1 (0.48) FABP7FABP5TSHRALDH1A1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 FABP7 4149/4885FABP5 3342/4885TSHR 4727/4885

“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.