SCHEMBL3495204

SCHEMBL3495204

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C(Cn2ccnc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
BRD4 O60885 2/20 0.42
GPR119 Q8TDV5 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
ACHE P22303 1/20 0.41
TBXAS1 P24557 4/20 0.41
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
QPCT Q16769 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
ABHD6 Q9BV23 1/20 0.40

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
SCHEMBL4982127 0.86 CYP19A1 (0.48) TBXAS1CYP19A1CYP1A2POLBCYP3A4
SCHEMBL26891185 0.81 GPR119 (0.51) OPRD1OPRK1BRD4GPR119JAK2
SCHEMBL21005361 0.81 SIGMAR1 (0.52) OPRD1OPRK1BRD4GPR119JAK2
SCHEMBL2063153 0.81 SIGMAR1 (0.52) OPRD1OPRK1BRD4GPR119JAK2
SCHEMBL2063154 0.81 SIGMAR1 (0.52) OPRD1OPRK1BRD4GPR119JAK2
SCHEMBL25021630 0.81 GPR119 (0.51) OPRD1OPRK1BRD4GPR119JAK2
SCHEMBL25532990 0.80 GPR119 (0.47) OPRD1OPRK1BRD4GPR119JAK2
SCHEMBL2062670 0.80 GPR119 (0.50) OPRD1OPRK1BRD4GPR119JAK2
SCHEMBL29247571 0.80 GPR119 (0.47) OPRD1OPRK1BRD4GPR119JAK2
SCHEMBL3492072 0.80 GPR119 (0.50) OPRD1OPRK1BRD4GPR119JAK2

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 4 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
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 OPRD1 804/4885OPRK1 408/4885BRD4 455/4885

“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.