SCHEMBL307937

SCHEMBL307937

COc1ccc(CNc2ccc(Br)cc2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDE4B Q07343 4/20 0.51
PDE4A P27815 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL308600 0.85 RECQL (0.48) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL8065663 0.84 MAPT (0.74) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL1157253 0.81 TUBB4A (0.57) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL13317191 0.80 RECQL (0.61) RECQLPDE4BPDE4APDE4CPDE4D
SCHEMBL1157332 0.80 PDE4A (0.58) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL27726708 0.79 PDE4B (0.55) RECQLPDE4BPDE4APDE4CPDE4D
SCHEMBL1157256 0.79 UTS2R (0.57) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL1157585 0.79 PDE5A (0.54) MAPTALDH1A1GAARECQLPDE4B
SCHEMBL129356 0.78 PDE4A (0.59) MAPTALDH1A1PDE4BPDE4APDE4C
SCHEMBL1158954 0.78 ALDH1A1 (0.65) MAPTALDH1A1GAAKDM4ETDP1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
US-8629156-B2 Tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2014-01-14 US disclosed
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8410121-B2 Methods of treating pulmonary hypertension LEXICON PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
EP-2533778-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE Lexicon Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer LEXICON PHARMACEUTICALS, INC. 2012-12-13 US disclosed
EP-1984344-B1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2012-09-26 EP disclosed
EP-2496231-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF CANCER Lexicon Pharmaceuticals, Inc. (US) 2012-09-12 EP disclosed
US-20120157484-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2012-06-21 US disclosed
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 US disclosed
WO-2009014972-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009009561-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY HYPERTENSION AND RELATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2009-01-01 US disclosed
WO-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2009002970-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 WO 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 (8 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-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS MAPT 4613/4885ALDH1A1 602/4885GAA 2345/4885
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer TPH1, TPH2, HNMT MAPT 2416/4885ALDH1A1 478/4885GAA 714/4885
US-20120157484-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HNMT MAPT 628/4885ALDH1A1 732/4885GAA 240/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 MAPT 1108/4885ALDH1A1 1286/4885GAA 575/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 MAPT 1347/4885ALDH1A1 1242/4885GAA 1639/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT MAPT 1949/4885ALDH1A1 647/4885GAA 218/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT MAPT 4460/4885ALDH1A1 1286/4885GAA 445/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB MAPT 1340/4885ALDH1A1 497/4885GAA 369/4885

“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.