SCHEMBL14872503

SCHEMBL14872503

Cn1c(N)nnc1NCCc1cc[nH]c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 5/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 1/20 0.32
GSK3B P49841 1/20 0.30

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
SCHEMBL14872439 0.85 GAA (0.33) CAPN1SMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL14872500 0.82 SMN1; SMN2 (0.33) CAPN1SMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL14869009 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL14869263 0.76 TAAR1 (0.40) SMN1; SMN2ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL14869185 0.76 BACE1 (0.31)
SCHEMBL14869220 0.76 CNR2 (0.34) SMN1; SMN2ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL14869267 0.76
SCHEMBL14869011 0.72 HPGD (0.46) SMN1; SMN2ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL14868765 0.71 MAPK1 (0.33) SMN1; SMN2LMNAHTTMAPTMAPK1
SCHEMBL14872489 0.71

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 14 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-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2020-06-02 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-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-9481642-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2016-11-01 US disclosed
US-9480663-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 CAPN1 3177/4885SMN1; SMN2 4216/4885ALDH1A1 980/4885
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 CAPN1 3177/4885SMN1; SMN2 4216/4885ALDH1A1 980/4885
US-20170209394-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG CAPN1 3140/4885SMN1; SMN2 4164/4885ALDH1A1 1040/4885
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 CAPN1 3177/4885SMN1; SMN2 4216/4885ALDH1A1 980/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 CAPN1 3177/4885SMN1; SMN2 4216/4885ALDH1A1 980/4885
US-20170202790-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 CAPN1 3177/4885SMN1; SMN2 4216/4885ALDH1A1 980/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 CAPN1 3177/4885SMN1; SMN2 4216/4885ALDH1A1 980/4885
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 CAPN1 3177/4885SMN1; SMN2 4216/4885ALDH1A1 980/4885
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 CAPN1 3177/4885SMN1; SMN2 4216/4885ALDH1A1 980/4885
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 CAPN1 3177/4885SMN1; SMN2 4216/4885ALDH1A1 980/4885

“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.