SCHEMBL14869474

SCHEMBL14869474

CN(C)c1nc(NCCc2ccc3c(c2)OCO3)nc(N(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
BCDIN3D Q7Z5W3 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
CNR2 P34972 2/20 0.48
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE5A O76074 1/20 0.43
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL14869459 0.93 ESR1 (0.49) ESR1ESR2CA1CA2CA9
SCHEMBL14869473 0.92 ESR1 (0.53) ESR1ESR2CA1CA2CA9
SCHEMBL14869465 0.88 HPGD (0.61) CA1CA2CA9LMNAMAPT
SCHEMBL20799908 0.82 ESR1 (0.47) ESR1ESR2CA1CA2CA9
SCHEMBL14869585 0.81 HPGD (0.60) LMNAMAPTHPGDKDM4ETSHR
SCHEMBL14869475 0.80 BCDIN3D (0.53) ESR1ESR2CA1CA2CA9
SCHEMBL2451349 0.80 LMNA (0.56) CA1CA2CA9LMNAMAPT
SCHEMBL14869450 0.78 BCDIN3D (0.52) ESR1ESR2CA1CA2CA9
SCHEMBL14869395 0.78 BCDIN3D (0.52) ESR1ESR2CA1CA2CA9
SCHEMBL14869484 0.76 CA1 (0.43) CA1CA2CA9LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2021-07-20 US disclosed
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2020-06-02 US disclosed
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2020-05-07 US disclosed
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2019-03-14 US disclosed
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170209394-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2017-07-27 US disclosed
US-9481642-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2016-11-01 US disclosed
US-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2015-03-05 US disclosed
US-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2015-03-05 US disclosed
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2014-11-20 US disclosed
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2014-11-20 US disclosed
US-8796338-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC (US) 2014-08-05 US disclosed
US-8796338-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC (US) 2014-08-05 US disclosed
WO-2013103384-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 WO disclosed
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-04-18 US disclosed
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-04-18 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 (11 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-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ESR1 3370/4885ESR2 2884/4885CA1 3461/4885
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ESR1 3370/4885ESR2 2884/4885CA1 3461/4885
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ESR1 3370/4885ESR2 2884/4885CA1 3461/4885
US-20170209394-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG ESR1 3414/4885ESR2 2967/4885CA1 3320/4885
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ESR1 3370/4885ESR2 2884/4885CA1 3461/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ESR1 3370/4885ESR2 2884/4885CA1 3461/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 ESR1 3370/4885ESR2 2884/4885CA1 3461/4885
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ESR1 3370/4885ESR2 2884/4885CA1 3461/4885
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ESR1 3370/4885ESR2 2884/4885CA1 3461/4885
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG ESR1 3414/4885ESR2 2967/4885CA1 3320/4885
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ESR1 3370/4885ESR2 2884/4885CA1 3461/4885

“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.