SCHEMBL307796

SCHEMBL307796

Cc1nn(C)cc1CNc1cnc(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
USP2 O75604 2/20 0.44
HTT P42858 1/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL22792314 0.71 MCHR1 (0.38) ALDH1A1USP2HTTRAB9ASMN1; SMN2
SCHEMBL4208862 0.69 RAB9A (0.47) ALDH1A1USP2HTTRAB9ASMN1; SMN2
SCHEMBL15760923 0.68 RAB9A (0.49) ALDH1A1USP2HTTRAB9ASMN1; SMN2
SCHEMBL24283871 0.67 HCAR3 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL309144 0.66 SMN1; SMN2 (0.43) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL13732223 0.64 RAB9A (0.59) ALDH1A1USP2HTTRAB9ASMN1; SMN2
SCHEMBL22191398 0.64 ALDH1A1 (0.57) ALDH1A1USP2SMN1; SMN2MEN1HPGD
SCHEMBL4208860 0.64 RAB9A (0.46) ALDH1A1USP2HTTRAB9ASMN1; SMN2
SCHEMBL3274402 0.64 HDAC3 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL12763797 0.63 HCAR3 (0.46) ALDH1A1SMN1; SMN2

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 46 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
CN-103265495-A Multicyclic amino acid derivatives and methods of their use LEXICON GENETICS INC 2013-08-28 CN 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
CN-101351451-B Polycyclic amino acid derivatives and methods of use thereof LEXICON PHARMACEUTICALS INC 2013-02-20 CN 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
CN-102753168-A Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease LEXICON PHARMACEUTICALS INC 2012-10-24 CN disclosed
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 US disclosed
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 CN 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-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2009-01-01 US disclosed
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. 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 (7 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 ALDH1A1 602/4885USP2 1302/4885HTT 3318/4885
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer TPH1, TPH2, HNMT ALDH1A1 478/4885USP2 1405/4885HTT 745/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 ALDH1A1 1286/4885USP2 3697/4885HTT 604/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 ALDH1A1 1242/4885USP2 1448/4885HTT 781/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT ALDH1A1 647/4885USP2 2325/4885HTT 175/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT ALDH1A1 1286/4885USP2 1877/4885HTT 336/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB ALDH1A1 497/4885USP2 935/4885HTT 485/4885

“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.