SCHEMBL4013293

SCHEMBL4013293

COC(=O)Cc1cccc(C[C@@H](C)N[C@H](C)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.60
SLC7A5 Q01650 1/20 0.59
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
SLC2A1 P11166 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4613121 1.00 SIGMAR1 (0.60) SIGMAR1SLC7A5MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL4013287 0.99 SIGMAR1 (0.58) SIGMAR1SLC7A5MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL4013289 0.99 SIGMAR1 (0.58) SIGMAR1SLC7A5MEN1KMT2ATSHR
SCHEMBL6251530 0.88 SIGMAR1 (0.65) SIGMAR1SLC7A5MEN1KMT2ATSHR
SCHEMBL3628122 0.88 SIGMAR1 (0.65) SIGMAR1SLC7A5TSHRNPC1RAB9A
SCHEMBL13754670 0.88 SIGMAR1 (0.57) SIGMAR1SLC7A5MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6251529 0.87 SIGMAR1 (0.63) SIGMAR1SLC7A5MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL732028 0.87 SIGMAR1 (0.63) SIGMAR1SLC7A5TSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL3625561 0.87 SIGMAR1 (0.63) SIGMAR1SLC7A5TSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL6251526 0.87 SIGMAR1 (0.63) SIGMAR1SLC7A5MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
US-7482487-B2 Phenylaminoethanol derivatives as β2 receptor agonists PFIZER INC (US) 2009-01-27 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
EP-1633714-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
EP-1574501-A1 Quinolinone derivatives, pharmaceutical compositions containing them and their use Pfizer Limited (GB) 2005-09-14 EP disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 US disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 US disclosed
WO-2004108675-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 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 (3 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-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 SIGMAR1 4130/4885SLC7A5 1169/4885MEN1 2743/4885
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 SIGMAR1 4073/4885SLC7A5 1466/4885MEN1 1038/4885
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 SIGMAR1 4130/4885SLC7A5 1169/4885MEN1 2743/4885

“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.