SCHEMBL274490

SCHEMBL274490

CN(Cc1ncc[nH]1)Cc1ncc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.59
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.42
TERT O14746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL825300 0.93 TAAR1 (0.58) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL12193521 0.90 TAAR1 (0.56) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL12807569 0.88 TAAR1 (0.53) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL590213 0.86
SCHEMBL825460 0.86 TAAR1 (0.51) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL6039523 0.83 TAAR1 (0.49) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL14968968 0.83 TAAR1 (0.49) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL14968969 0.83 TAAR1 (0.49) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL14045791 0.83 TAAR1 (0.45) TAAR1
SCHEMBL14029841 0.83 TAAR1 (0.56) TAAR1CYP2D6TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648766-B1 PSMA-TARGETED DENDRIMERS MOLECULAR INSIGHT PHARM INC (US) 2018-04-18 EP disclosed
US-9687572-B2 PSMA-targeted dendrimers MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2017-06-27 US disclosed
US-20130274288-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-10-17 US disclosed
US-20130274288-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-10-17 US disclosed
US-8487107-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-07-16 US disclosed
US-8487107-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-07-16 US disclosed
US-8377966-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-02-19 US disclosed
US-8377966-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-02-19 US disclosed
US-20120122926-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-05-17 US disclosed
US-20120122926-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-05-17 US disclosed
US-20100093753-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-04-15 US disclosed
US-20100093753-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-04-15 US disclosed
US-7687519-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-03-30 US disclosed
US-7687519-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-03-30 US disclosed
US-7659403-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-[methyl(3-(2-[(thiophen-2-ylmethyl)amino]ethylcarbamoyl)benzoyl)amino]ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2010-02-09 US disclosed
US-7659403-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-[methyl(3-(2-[(thiophen-2-ylmethyl)amino]ethylcarbamoyl)benzoyl)amino]ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2010-02-09 US disclosed
US-7632847-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-(3-[3-(4-hydroxybenzylamino)propionylamino]benzoylamino)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2009-12-15 US disclosed
US-7632847-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-(3-[3-(4-hydroxybenzylamino)propionylamino]benzoylamino)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2009-12-15 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP 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 (4 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A TAAR1 4794/4885CYP2D6 962/4885TSHR 4663/4885
US-20130274288-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 TAAR1 172/4885CYP2D6 377/4885TSHR 127/4885
US-20100093753-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 TAAR1 172/4885CYP2D6 377/4885TSHR 127/4885
US-20120122926-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 TAAR1 172/4885CYP2D6 377/4885TSHR 127/4885

“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.