SCHEMBL2991784

SCHEMBL2991784

O=C(O)CN1CCCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.68
CHRM4 P08173 5/20 0.68
CHRM1 P11229 5/20 0.68
CHRM3 P20309 5/20 0.68
ALDH1A1 P00352 7/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC8 Q9BY41 1/20 0.56
ALPL P05186 1/20 0.54
ALPG P10696 1/20 0.54
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL30775585 1.00 CHRM2 (0.68) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL1102038 0.95 CHRM2 (0.70) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5152882 0.88 MEN1 (0.71) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL8981985 0.86 CHRM2 (0.67) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL13444609 0.83 ALDH1A1 (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL29930459 0.81 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL28643439 0.81 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11671841 0.81 ALPL (0.70) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL9974151 0.81 CHRM2 (0.68) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4700798 0.81 ALDH1A1 (0.71) CHRM2CHRM4CHRM1CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173896-A1 Organic Compounds SAKAKI JUNICHI 2010-07-08 US disclosed
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES VAN EIS MAURICE 2010-05-27 US disclosed
US-7709470-B2 11-phenyl-dibenzodiazepine derivatives as RXR-antagonists NOVARTIS AG (CH) 2010-05-04 US disclosed
EP-1859802-A2 Compositions comprising benzo(G)quinoline derivates and prostaglandin derivates Novartis AG (CH) 2007-11-28 EP disclosed
US-20070093507-A1 Compositions comprising benzo (g) quinoline derivatives and prostaglandin derivatives LAMBROU GEORGE N 2007-04-26 US disclosed
US-20070043029-A1 11-Phenyl-dibenzodiazepine derivatives as rxr-antagonists NOVARTIS AG (CH) 2007-02-22 US disclosed
EP-1663230-A1 COMPOSITIONS COMPRISING BENZO(G)QUINOLINE DERIVATIVES AND PROSTAGLANDIN DERIVATIVES Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005023258-A1 COMPOSITIONS COMPRISING BENZO (G) QUINOLINE DERIVATIVES AND PROSTAGLANDIN DERIVATIVES NOVARTIS AG (CH) 2005-03-17 WO disclosed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed
EP-0292923-A2 Piperidine compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-11-30 EP 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 (4 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-20070043029-A1 11-Phenyl-dibenzodiazepine derivatives as rxr-antagonists RXRB, RXRA, RXRG CHRM2 911/4885CHRM4 824/4885CHRM1 1076/4885
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES PKN1, PKN2, CDK9 CHRM2 2750/4885CHRM4 2639/4885CHRM1 2336/4885
US-20070093507-A1 Compositions comprising benzo (g) quinoline derivatives and prostaglandin derivatives PTGIS, PTGES, PTGS2 CHRM2 967/4885CHRM4 959/4885CHRM1 1282/4885
US-20100173896-A1 Organic Compounds RXRB, RXRA, RXRG CHRM2 562/4885CHRM4 259/4885CHRM1 536/4885

“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.