SCHEMBL6135546

SCHEMBL6135546

O=C(NCCCCO)C1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.69
GNAO1 P09471 1/20 0.69
GNAI1 P63096 1/20 0.69
NAAA Q02083 1/20 0.47
EPHX1 P07099 2/20 0.43
POLB P06746 1/20 0.43
PRCP P42785 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 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
SCHEMBL670169 0.87 GNAI3 (0.60) GNAI3GNAO1GNAI1NAAAPOLB
Hydrochloric Acid SCHEMBL28808281 0.85 GNAI3 (0.63) GNAI3GNAO1GNAI1NAAAPOLB
SCHEMBL4555068 0.84 GNAI3 (0.94) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL6017191 0.83 GNAI3 (0.97) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL19309524 0.82 GNAI3 (0.64) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL1438748 0.82 GNAI3 (0.84) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL13712654 0.81 NAAA (0.69) GNAI3GNAO1GNAI1NAAAEPHX1
Hydrochloric Acid SCHEMBL20542952 0.81 GNAI3 (1.00) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL20142152 0.81 GNAI3 (0.63) GNAI3GNAO1GNAI1NAAAEPHX1
SCHEMBL3517689 0.81 NAAA (0.52) GNAI3GNAO1GNAI1NAAAEPHX1

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 8 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
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
EP-1591462-A2 Temperature-responsive polymer compound and process for producing the same Amersham Biosciences KK (JP) 2005-11-02 EP disclosed
US-6956077-B1 Temperature-responsive polymer compound and process for producing the same AMERSHAM BIOSCIENCES KK (JP) 2005-10-18 US disclosed
US-20050224415-A1 Temperature-responsive polymer compound and process for producing the same AMERSHAM BIOSCIENCES KK 2005-10-13 US disclosed
EP-1153049-B1 TEMPERATURE-RESPONSIVE POLYMER COMPOUND AND PROCESS FOR PRODUCING THE SAME AMERSHAM BIOSCIENCES KK (JP) 2005-08-10 EP disclosed
EP-1153049-A1 TEMPERATURE-RESPONSIVE POLYMER COMPOUND AND PROCESS FOR PRODUCING THE SAME Amersham Pharmacia Biotech K.K. (JP) 2001-11-14 EP disclosed
WO-2000044800-A1 TEMPERATURE-RESPONSIVE POLYMER COMPOUND AND PROCESS FOR PRODUCING THE SAME AMERSHAM PHARMACIA BIOTECH K.K. (JP) 2000-08-03 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 GNAI3 2906/4885GNAO1 1994/4885GNAI1 2722/4885

“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.