SCHEMBL603907

SCHEMBL603907

COc1ccc2c(c1)/C(=C/c1ccccc1)C(NC(=O)O)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
MIF P14174 1/20 0.44
ACHE P22303 5/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 3/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
TP53 P04637 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B2 P19099 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL603908 1.00 MAOB (0.48) MAOBMIFACHENPC1RAB9A
SCHEMBL625837 0.89 MAOB (0.43) MAOBMIFACHENPC1RAB9A
SCHEMBL10267717 0.89 MAOB (0.43) MAOBMIFACHENPC1RAB9A
SCHEMBL626213 0.79 ACHE (0.58) MAOBACHELMNASMN1; SMN2MTNR1A
SCHEMBL14685036 0.72 CYP19A1 (0.43) MAOBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14673585 0.72 CYP19A1 (0.43) MAOBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14673584 0.72 CYP19A1 (0.43) MAOBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8796524 0.69 MIF (0.56) MAOBMIFACHENPC1RAB9A
SCHEMBL8765833 0.69 ACHE (0.58) ACHELMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL11896109 0.67 MTNR1A (0.62) ACHEMTNR1AMTNR1BMEN1KMT2A

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 MAOB 2675/4885MIF 1524/4885ACHE 3165/4885
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, GFPT1 MAOB 2675/4885MIF 1524/4885ACHE 3165/4885

“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.