SCHEMBL578874

SCHEMBL578874

C=CC[C@@H](C)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
DHODH Q02127 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CYP24A1 Q07973 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GBA1 P04062 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
G6PD P11413 1/20 0.37
CA2 P00918 3/20 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
SCHEMBL621605 1.00 C5AR1 (0.40) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL2596725 1.00 C5AR1 (0.40) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL3744998 0.84 C5AR1 (0.38) C5AR1DHODHNPSR1TLR9GAA
SCHEMBL27358566 0.83 C5AR1 (0.39) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL15668772 0.82 C5AR1 (0.37) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL32668915 0.82 CA2 (0.40) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL15668771 0.82 C5AR1 (0.37) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL32668708 0.82 CA2 (0.40) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL17542475 0.81 C5AR1 (0.38) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL10932836 0.81 GBA1 (0.46) TLR9CYP24A1GAAALDH1A1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703802-B2 Process for the preparation of aryl substituted olefinic amines TARGACEPT, INC. (US) 2014-04-22 US claimed
US-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-02-13 US disclosed
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 US disclosed
US-11685747-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2023-06-27 US disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
CN-110691784-B Compounds for inhibiting MCL-1 protein 美国安进公司 2023-03-31 CN disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-20100249196-A1 Novel Salt Forms Of (2S)-(4E)-N-Methyl-5-[3-(5-Isopropoxypyridin)yl]-4-Penten 2-Amine ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-05-13 US disclosed
US-20100048643-A1 Novel Polymorph Forms Of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin)yl]-4-penten-2-amine TARGACEPT, INC. 2010-02-25 US disclosed
EP-2133337-A1 Salt forms of (2S)-(4E)-N-Methyl-5-[(5-Isopropoxy)pyridin-3-yl]-4-penten-2-amine AstraZeneca AB (SE) 2009-12-16 EP disclosed
EP-2133338-A1 Salt forms of (2S)-(4E)-N-Methyl-5-[(5-Isopropoxy)pyridin-3-yl]-4-penten-2-amine AstraZeneca AB (SE) 2009-12-16 EP disclosed
EP-2021325-A2 SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-ISOPROPOXYPYRIDIN)YL]-4-PENTEN-2-AMINE AstraZeneca AB (SE) 2009-02-11 EP disclosed
EP-2021326-A1 POLYMORPH FORMS OF (2S) - (4E) -N-METHYL-5- (3-ISOPROPOXYPYRIDIN) YL]-4-PENTEN-2-AMINE FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Targacept, Inc. (US) 2009-02-11 EP disclosed
WO-2007134034-A1 POLYMORPH FORMS OF (2S) - (4E) -N-METHYL-5- (3-ISOPROPOXYPYRIDIN) YL] -4-PENTEN-2-AMINE FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2007-11-22 WO disclosed
WO-2007134038-A2 SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-ISOPROPOXYPYRIDIN)YL]-4-PENTEN-2-AMINE ASTRAZENECA AB (SE) 2007-11-22 WO disclosed
US-20070265314-A1 NOVEL POLYMORPH FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-ISOPROPOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. 2007-11-15 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 (10 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-20070265314-A1 NOVEL POLYMORPH FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-ISOPROPOXYPYRIDIN)YL]-4-PENTEN-2-AMINE HTR2B, CYP4B1, HTR3B C5AR1 2028/4885DHODH 3607/4885NPSR1 928/4885
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 C5AR1 3754/4885DHODH 2817/4885NPSR1 4714/4885
US-11685747-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 C5AR1 3754/4885DHODH 2817/4885NPSR1 4714/4885
US-12024529-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 C5AR1 3754/4885DHODH 2817/4885NPSR1 4714/4885
US-20100249196-A1 Novel Salt Forms Of (2S)-(4E)-N-Methyl-5-[3-(5-Isopropoxypyridin)yl]-4-Penten 2-Amine SLC25A13, SLC25A11, SLC1A2 C5AR1 3700/4885DHODH 127/4885NPSR1 814/4885
US-20100048643-A1 Novel Polymorph Forms Of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin)yl]-4-penten-2-amine HTR2B, CYP4B1, HTR3B C5AR1 2028/4885DHODH 3607/4885NPSR1 928/4885
US-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 IDH1, IDH2, IDH3A C5AR1 4870/4885DHODH 73/4885NPSR1 4775/4885
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRM3, CHRM5, CHRM4 C5AR1 259/4885DHODH 1423/4885NPSR1 31/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 C5AR1 3674/4885DHODH 3319/4885NPSR1 4685/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 C5AR1 3674/4885DHODH 3319/4885NPSR1 4685/4885

“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.