SCHEMBL3495048

SCHEMBL3495048

N[C@H](CCc1ccccc1)CC(=O)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.65
FKBP1A P62942 3/20 0.63
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.50
CTSS P25774 3/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TACR2 P21452 1/20 0.47
USP2 O75604 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3493060 1.00 DPP4 (0.65) DPP4FKBP1AMEN1KMT2AALDH1A1
SCHEMBL22951072 0.86 DPP4 (0.64) DPP4FKBP1AMEN1KMT2AALDH1A1
SCHEMBL22951074 0.86 DPP4 (0.64) DPP4FKBP1AMEN1KMT2AALDH1A1
SCHEMBL3494455 0.81 FKBP1A (0.59) FKBP1AMEN1KMT2AALDH1A1TSHR
SCHEMBL3013798 0.79 FKBP1A (0.60) FKBP1AMEN1KMT2AALDH1A1TSHR
SCHEMBL3013795 0.79 FKBP1A (0.60) FKBP1AMEN1KMT2AALDH1A1TSHR
SCHEMBL376503 0.78 FKBP1A (0.66) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL555019 0.78 FKBP1A (0.66) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL30165596 0.78 FKBP1A (0.66) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL8327592 0.78 FKBP1A (1.00) FKBP1AMEN1KMT2AALDH1A1TSHR

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 DPP4 4179/4885FKBP1A 4363/4885MEN1 750/4885

“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.