SCHEMBL3495283

SCHEMBL3495283

O=C(O)c1ncn(C2CCCN(C(=O)OCc3ccccc3)C2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LCK P06239 2/20 0.44
CYP2C19 P33261 1/20 0.43
TMEM97 Q5BJF2 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
HTR1A P08908 2/20 0.43
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ADRA2C P18825 1/20 0.43
GRIN2B Q13224 2/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL3493751 0.91 JAK2 (0.46) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL3493565 0.84 PARP1 (0.40) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL8239273 0.81 PARP1 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL29138124 0.79 SMN1; SMN2 (0.56) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL3493839 0.76 EGFR (0.48) JAK2JAK1TYK2JAK3CHRM4
SCHEMBL885879 0.76 SMN1; SMN2 (0.44) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL3492984 0.76 MEN1 (0.40) SMN1; SMN2CYP2C19
SCHEMBL3494136 0.75 EGFR (0.48)
SCHEMBL22765331 0.74 TMEM97 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL3678408 0.74 TMEM97 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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 (1 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 JAK2 922/4885JAK1 1604/4885TYK2 2740/4885

“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.