SCHEMBL607858

SCHEMBL607858

COc1ccc2c(c1)C(Cc1ccccc1)C(NC(=O)O)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.48
MTNR1B P49286 6/20 0.48
NQO2 P16083 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
NPY5R Q15761 2/20 0.45
SLC6A9 P48067 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PRNP P04156 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL603655 0.90 ATM (0.45) MTNR1AMTNR1BNQO2TRPV1NPY5R
SCHEMBL605986 0.83 TRPV1 (0.42) TRPV1SLC6A9
SCHEMBL14489162 0.81 NPY5R (0.45) MTNR1AMTNR1BNQO2NPY5R
SCHEMBL15617046 0.79 TRPV1 (0.54) MTNR1AMTNR1BNQO2TRPV1NPY5R
SCHEMBL15544456 0.79 TRPV1 (0.54) MTNR1AMTNR1BNQO2TRPV1NPY5R
SCHEMBL15617246 0.79 TRPV1 (0.54) MTNR1AMTNR1BNQO2TRPV1NPY5R
SCHEMBL605742 0.78 HTR2A (0.45) MTNR1AMTNR1BNQO2NPY5RSLC6A9
SCHEMBL603483 0.78 ATM (0.43) SLC6A9
SCHEMBL4271807 0.77 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL601872 0.76 ATM (0.46) TRPV1SLC6A9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227930-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2016-01-05 US disclosed
US-20140309206-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES 2014-10-16 US disclosed
US-8846743-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-09-30 US disclosed
EP-2603481-B1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2014-09-17 EP disclosed
EP-2603481-A2 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2013-06-19 EP disclosed
WO-2012020131-A2 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO disclosed
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 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 (2 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-20140309206-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, GFPT1 MTNR1A 687/4885MTNR1B 780/4885NQO2 1072/4885
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, GFPT1 MTNR1A 687/4885MTNR1B 780/4885NQO2 1072/4885

“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.