Fumaric Acid

Fumaric Acid

SCHEMBL2435679

CN1CCC[C@H]1CCNS(=O)(=O)c1ccc2c(c1)CN(CC1CCCCC1)CC2.O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR7 P34969 5/20 0.38
METAP2 P50579 2/20 0.37
MOGAT2 Q3SYC2 2/20 0.37
TP53 P04637 1/20 0.36
ACHE P22303 1/20 0.36

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
Fumaric Acid SCHEMBL27987046 1.00 TSHR (0.41) TSHRHRH3ALDH1A1HTR7METAP2
Fumaric Acid SCHEMBL9898162 1.00 TSHR (0.41) TSHRHRH3ALDH1A1HTR7METAP2
Fumaric Acid SCHEMBL2435682 1.00 TSHR (0.41) TSHRHRH3ALDH1A1HTR7METAP2
Fumaric Acid SCHEMBL9898673 0.99 TSHR (0.41) TSHRHRH3ALDH1A1HTR7METAP2
Fumaric Acid SCHEMBL9898674 0.99 TSHR (0.41) TSHRHRH3ALDH1A1HTR7METAP2
Oxalic Acid SCHEMBL1241171 0.94 HRH3 (0.44) TSHRHRH3ALDH1A1HTR7METAP2
Water SCHEMBL16161850 0.93 HRH3 (0.46) TSHRHRH3ALDH1A1HTR7MOGAT2
SCHEMBL1241268 0.93 HRH3 (0.46) TSHRHRH3ALDH1A1HTR7MOGAT2
SCHEMBL2400927 0.93 HRH3 (0.46) TSHRHRH3ALDH1A1HTR7MOGAT2
SCHEMBL5630601 0.89 HTR7 (0.45) TSHRHRH3ALDH1A1HTR7TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789102-B2 H3 receptor antagonist for use in the treatment of alzheimer's disease SANOFI (FR) 2017-10-17 US claimed
EP-2833887-B1 AN H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE SANOFI SA (FR) 2016-12-28 EP claimed
US-20160256449-A1 H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE SANOFI (FR) 2016-09-08 US claimed
EP-3043799-A1 AN H3 RECEPTOR ANTAGONIST COMBINED WITH A CHOLINESTERASE INHIBITOR FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE SANOFI (FR) 2016-07-20 EP claimed
EP-2445899-B1 NOVEL FUMARATE SALTS OF A HISTAMINE H3 RECEPTOR ANTAGONIST SANOFI SA (FR) 2016-05-11 EP claimed
US-20160101099-A1 H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE SANOFI (FR) 2016-04-14 US claimed
WO-2015032966-A1 AN H3 RECEPTOR ANTAGONIST COMBINED WITH A CHOLINESTERASE INHIBITOR FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE SANOFI (FR) 2015-03-12 WO claimed
EP-2833887-A1 AN H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE SANOFI (FR) 2015-02-11 EP claimed
US-20150031893-A1 AN H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE SANOFI SA (FR) 2015-01-29 US claimed
CN-102803247-B Novel fumarate salts of a histamine H3 receptor antagonist SANOFI AVENTIS 2014-11-05 CN claimed
EP-2647377-A1 Use of an h3 receptor antagonist for the treatment of alzheimer's disease SANOFI (FR) 2013-10-09 EP claimed
CN-103221394-A Process for the preparation of 2-(cyclohexylmethyl)-n-{2- [(2s)-1-methylpyrrolidin-2-yl]ethyl}-1, 2, 3, 4- tetrahydroisoquinoline-7-sulfonamide SAI NUOFEI 2013-07-24 CN claimed
US-20130137718-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-05-30 US claimed
US-20130123302-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-05-16 US claimed
CN-103068815-A Process for the preparation of 2-(cyclohexylmethyl)-n-{2- [(2s)-1-methylpyrrolidin-2-yl]ethyl}-1, 2, 3, 4- tetrahydroisoquinoline-7-sulfonamide SANOFI SA 2013-04-24 CN claimed
EP-2556064-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-02-13 EP claimed
EP-2542530-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-01-09 EP claimed
US-20120149728-A1 NOVEL FUMARATE SALTS OF A HISTAMINE H3 RECEPTOR ANTAGONIST SANOFI (FR) 2012-06-14 US claimed
WO-2011109680-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2011-09-09 WO claimed
WO-2011109675-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2011-09-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20160101099-A1 H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE HRH3, HRH4, HRH1 TSHR 270/4885HRH3 1/4885ALDH1A1 2798/4885
US-20160256449-A1 H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE HRH3, HRH4, H1-2 TSHR 435/4885HRH3 1/4885ALDH1A1 2791/4885
US-20120149728-A1 NOVEL FUMARATE SALTS OF A HISTAMINE H3 RECEPTOR ANTAGONIST HRH4, HRH3, HRH2 TSHR 716/4885HRH3 2/4885ALDH1A1 3119/4885
US-20130137718-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SULT1E1, SULT2A1, STS TSHR 3886/4885HRH3 2039/4885ALDH1A1 1389/4885
US-20150031893-A1 AN H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE HRH3, HRH4, H1-2 TSHR 319/4885HRH3 1/4885ALDH1A1 2640/4885
US-20130123302-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SULT1E1, SULT2A1, STS TSHR 3886/4885HRH3 2039/4885ALDH1A1 1389/4885

“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.