SCHEMBL3493236

SCHEMBL3493236

CCOC(=O)c1[nH]nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ HPGD P15428 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ADORA3 P0DMS8 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ RIPK1 Q13546 1/20 0.50
▸ CDC25B P30305 1/20 0.50
▸ DUSP3 P51452 1/20 0.50

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
SCHEMBL11351745 0.87 ALDH1A1 (0.58) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL27321802 0.87 RAB9A (0.63) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1753182 0.86 HPGDS (0.60) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10172532 0.86 HPGDS (0.60) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL6852927 0.84 ALDH1A1 (0.55) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5330670 0.82 HPGDS (0.56) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28670818 0.82 RAB9A (0.48) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL16112290 0.81 ALDH1A1 (0.55) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL648130 0.81 HPGDS (0.55) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9985730 0.81 HPGDS (0.61) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2

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 5 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

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 HPGDS 1486/4885ALDH1A1 1062/4885HPGD 785/4885

“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.

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