SCHEMBL4587893

SCHEMBL4587893

[CH2]CNC(=O)c1ccco1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
SMN1; SMN2 Q16637 4/20 0.68
PKM P14618 1/20 0.68
HPGD P15428 1/20 0.66
RAB9A P51151 4/20 0.64
NPC1 O15118 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
TSHR P16473 1/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54

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
SCHEMBL11213625 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL27905947 0.85 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL16364100 0.82 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL11683297 0.82 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL16266236 0.81 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL18906003 0.81 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL16272275 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL5123738 0.81 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL237337 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL2969896 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PKMHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004765-A1 New compounds BIOVITRUM AB (SE) 2007-01-04 US claimed
WO-2006122931-A1 BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS BIOVITRUM AB (PUBL) (SE) 2006-11-23 WO claimed
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US claimed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO claimed
EP-0131374-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PENEM DERIVATIVES PFIZER INC. (US) 1988-11-23 EP claimed
US-4725678-A ANTIBIOTICS PFIZER INC. (US) 1988-02-16 US claimed
US-4619783-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US claimed
US-4595539-A Containing acid or ester groups and sulfur PFIZER INC. (US) 1986-06-17 US claimed
EP-0131374-A1 Process and intermediates for the preparation of penem derivatives PFIZER INC. (US) 1985-01-16 EP claimed
EP-0128725-A1 Preparation of penem derivatives PFIZER INC. (US) 1984-12-19 EP claimed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP claimed
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
US-20070004765-A1 New compounds BIOVITRUM AB (SE) 2007-01-04 US disclosed
US-4619783-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US disclosed
US-4595539-A Containing acid or ester groups and sulfur PFIZER INC. (US) 1986-06-17 US disclosed
EP-0131374-A1 Process and intermediates for the preparation of penem derivatives PFIZER INC. (US) 1985-01-16 EP disclosed
EP-0128725-A1 Preparation of penem derivatives PFIZER INC. (US) 1984-12-19 EP disclosed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR ALDH1A1 1919/4885SMN1; SMN2 2065/4885PKM 2997/4885
US-20070004765-A1 New compounds GHSR, GIPR, PRLHR ALDH1A1 763/4885SMN1; SMN2 2365/4885PKM 2650/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 ALDH1A1 1361/4885SMN1; SMN2 4250/4885PKM 1536/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 ALDH1A1 306/4885SMN1; SMN2 4648/4885PKM 519/4885

“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.