SCHEMBL14993193

SCHEMBL14993193

O=C1CNCCN1Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.44
HDAC1 Q13547 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 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
Hydrochloric Acid SCHEMBL1306753 0.99 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNA4MAPTMAPK1
SCHEMBL27930072 0.86 ALDH1A1 (0.45) ALDH1A1CHRNB2CHRNA4MAPTMAPK1
SCHEMBL9678558 0.81 POLB (0.56) ALDH1A1CHRNB2CHRNA4MAPTMAPK1
SCHEMBL92331 0.81 L3MBTL1 (0.56) ALDH1A1MAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL4768580 0.80 L3MBTL1 (0.54) ALDH1A1MAPTGAAMEN1KMT2A
Bromide SCHEMBL28426487 0.80 L3MBTL1 (0.54) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7287505 0.79 L3MBTL1 (0.58) ALDH1A1CHRNB2CHRNA4MAPTMAPK1
SCHEMBL18291305 0.78 CHRM1 (0.44) CDK4CDK6
Hydrochloric Acid SCHEMBL5578157 0.78 L3MBTL1 (0.56) ALDH1A1CHRNB2CHRNA4MAPTMAPK1
SCHEMBL9016152 0.78 L3MBTL1 (0.65) ALDH1A1CHRNB2CHRNA4MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
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
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 US disclosed
US-8716470-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2014-05-06 US disclosed
US-20140100210-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-04-10 US disclosed
EP-2695881-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2014-02-12 EP 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

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 ALDH1A1 1249/4885CHRNB2 3929/4885CHRNA4 3306/4885
US-20140100210-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB ALDH1A1 1249/4885CHRNB2 3929/4885CHRNA4 3306/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB ALDH1A1 1249/4885CHRNB2 3929/4885CHRNA4 3306/4885

“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.