SCHEMBL605986

SCHEMBL605986

O=C(O)NC1Cc2ccc(O)cc2C1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.42
CYP19A1 P11511 1/20 0.41
PYGL P06737 10/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
SLC6A9 P48067 1/20 0.37

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
SCHEMBL14957415 0.88 TRPV1 (0.52) TRPV1ESR1ESR2SLC6A9
SCHEMBL601872 0.87 ATM (0.46) TRPV1CYP19A1SLC6A9
SCHEMBL607858 0.83 MTNR1A (0.48) TRPV1SLC6A9
SCHEMBL27928994 0.83 GAA (0.41) TRPV1CYP19A1SLC6A9
SCHEMBL16652712 0.79 CYP19A1 (0.47) TRPV1CYP19A1SLC6A9
SCHEMBL3108230 0.77 ESR1 (0.48) TRPV1ESR1ESR2SLC6A9
SCHEMBL3108816 0.77 TRPV1 (0.50) TRPV1ESR1ESR2SLC6A9
SCHEMBL3100814 0.76 TRPV1 (0.49) TRPV1ESR1ESR2SLC6A9
SCHEMBL14962077 0.76 TRPV1 (0.49) TRPV1ESR1ESR2SLC6A9
SCHEMBL14957700 0.74 TRPV1 (0.47) TRPV1CYP19A1ESR1ESR2SLC6A9

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-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
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 TRPV1 1085/4885CYP19A1 1883/4885PYGL 357/4885
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, GFPT1 TRPV1 1085/4885CYP19A1 1883/4885PYGL 357/4885

“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.