SCHEMBL6264677

SCHEMBL6264677

COc1c(C(=O)CNC(C)(C)Cc2ccccc2)ccc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRB2 P07550 6/20 0.38
LMNA P02545 2/20 0.37
CYP2D6 P10635 1/20 0.37
CASR P41180 2/20 0.37
ADRB1 P08588 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL6399582 0.99 ADRB2 (0.39) DPP4ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6261862 0.85 MEN1 (0.43) ADRB2LMNAADRB1MEN1NPC1
SCHEMBL6261231 0.84 MAPT (0.37) ALDH1A1ADRB2LMNAADRB1KDM4E
Hydrochloric Acid SCHEMBL11688977 0.83 ADRB2 (0.41) DPP4ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6399769 0.81 IDO1 (0.34) ALDH1A1LMNAKDM4EMEN1NPC1
SCHEMBL6263603 0.81 MEN1 (0.33) ALDH1A1CYP3A4ADRB2LMNAADRB1
Hydrochloric Acid SCHEMBL6288796 0.80 IDO1 (0.33) ALDH1A1LMNAKDM4EMEN1NPC1
SCHEMBL9152775 0.78 HPGD (0.52) ALDH1A1CYP3A4LMNAKDM4EMEN1
SCHEMBL6260438 0.76 HIF1A (0.40) DPP4ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9768254 0.75 MAPT (0.39) ALDH1A1LMNAKDM4EMEN1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-20 US disclosed
US-6951888-B2 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-04 US disclosed
EP-1551792-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-07-13 EP disclosed
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US disclosed
WO-2004033412-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 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 (2 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-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions CHRM1, CHRM2, ADRB1 DPP4 1047/4885ALDH1A1 1276/4885CYP3A4 164/4885
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions ADRA2C, ADRA1D, ADRB1 DPP4 1054/4885ALDH1A1 1263/4885CYP3A4 241/4885

“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.