SCHEMBL14869741

SCHEMBL14869741

CN(C)c1nc(N)nc(NCCc2ccccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.49
DRD2 P14416 5/20 0.49
HTR2A P28223 5/20 0.49
HTR7 P34969 5/20 0.49
HTR6 P50406 5/20 0.49
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
ACKR3 P25106 2/20 0.44
HTR2B P41595 2/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
AOC3 Q16853 1/20 0.42

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
SCHEMBL14869876 0.88 HRH4 (0.48) HTR2BCA1CA2CA9ADORA2A
SCHEMBL20799963 0.83 ESR1 (0.47) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL16543320 0.83 CA1 (0.41) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL14869410 0.81 CA1 (0.56) HTR7ACKR3HTR2BCA1CA2
SCHEMBL14869527 0.80 CA1 (0.44) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL14869765 0.79 CA1 (0.57) HTR7HTR6ESR1ESR2ACKR3
SCHEMBL14869736 0.79 CA1 (0.51) HTR7HTR6ACKR3HTR2BFFAR1
SCHEMBL14869748 0.78 ACKR3 (0.53) TAAR1ACKR3HTR2BFFAR1FFAR4
SCHEMBL14869463 0.76 CA1 (0.39) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL14869423 0.76 HTR7 (0.60) HTR7ACKR3HTR2BCA1CA2

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 16 patents. 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-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-20170209394-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2017-07-27 US disclosed
US-20170202790-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2017-07-20 US disclosed
US-20170202790-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2017-07-20 US disclosed
US-9481642-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2016-11-01 US disclosed
US-9481642-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2016-11-01 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 (6 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-20170209394-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG HTR1A 1889/4885DRD2 3658/4885HTR2A 966/4885
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 HTR1A 2011/4885DRD2 3634/4885HTR2A 1037/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 HTR1A 2011/4885DRD2 3634/4885HTR2A 1037/4885
US-20170202790-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 HTR1A 2011/4885DRD2 3634/4885HTR2A 1037/4885
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 HTR1A 2011/4885DRD2 3634/4885HTR2A 1037/4885
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 HTR1A 2011/4885DRD2 3634/4885HTR2A 1037/4885

“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.