SCHEMBL3595416

SCHEMBL3595416

OC1CN(c2ccc(Cl)nn2)C1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.62
CHRNA4 P43681 3/20 0.62
KMT2A Q03164 2/20 0.62
CYP1A2 P05177 1/20 0.56
BPTF Q12830 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1977615 0.86 LMNA (0.59) CHRNB2CHRNA4KMT2ACYP1A2BPTF
SCHEMBL1977612 0.86 LMNA (0.59) CHRNB2CHRNA4KMT2ACYP1A2BPTF
SCHEMBL31200769 0.83 CYP1A2 (0.60) CHRNB2CHRNA4KMT2ACYP1A2BPTF
SCHEMBL2963749 0.81 LMNA (0.67) CHRNB2CHRNA4KMT2ACYP1A2BPTF
SCHEMBL23603294 0.80 CHRNB2 (0.57) CHRNB2CHRNA4KMT2ACYP1A2BPTF
SCHEMBL15379730 0.79 LMNA (0.72) CHRNB2CHRNA4KMT2ACYP1A2BPTF
SCHEMBL31119073 0.78 CHRNB2 (0.63) CHRNB2CHRNA4KMT2ACYP1A2BPTF
SCHEMBL20929369 0.77 KMT2A (1.00) CHRNB2CHRNA4KMT2ACYP1A2BPTF
SCHEMBL20929379 0.77 KMT2A (0.66) CHRNB2CHRNA4KMT2ACYP1A2BPTF
SCHEMBL20929375 0.77 KMT2A (1.00) CHRNB2CHRNA4KMT2ACYP1A2BPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 EP disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 US disclosed
CN-103459369-A Guanidine compound ASTELLAS PHARMA INC 2013-12-18 CN disclosed
US-20130143860-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 US disclosed
US-20130143860-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 US disclosed
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 WO disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 WO disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 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 (3 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-20130143860-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB CHRNB2 3929/4885CHRNA4 3306/4885KMT2A 4738/4885
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 CHRNB2 3816/4885CHRNA4 3257/4885KMT2A 2859/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB CHRNB2 3929/4885CHRNA4 3306/4885KMT2A 4738/4885

“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.